SCHEMBL5710258

SCHEMBL5710258

Nc1ccc(CCO)c([N+](=O)[O-])c1N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 5/20 0.34
CYP3A4 P08684 4/20 0.34
ALOX15 P16050 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CYP1A2 P05177 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL354095 0.89 TSHR (0.43) TSHRPOLBHTTKMT2AALDH1A1
SCHEMBL22833863 0.87 TSHR (0.42) TSHRPOLBHTTGAATHRB
SCHEMBL4459975 0.86 TSHR (0.44) TSHRPOLBHTTGAATHRB
SCHEMBL872694 0.85 TSHR (0.40) TSHRPOLBHTTGAATHRB
SCHEMBL13726953 0.85 TSHR (0.43) TSHRPOLBHTTGAATHRB
SCHEMBL29377050 0.85 TSHR (0.40) TSHRPOLBHTTGAATHRB
SCHEMBL4456705 0.83 ALDH1A1 (0.39) TSHRPOLBHTTALDH1A1TDP1
SCHEMBL27881224 0.83 TSHR (0.39) TSHRPOLBHTTKMT2AALDH1A1
SCHEMBL1437068 0.83 TSHR (0.39) TSHRPOLBHTTALDH1A1TDP1
SCHEMBL4650014 0.81 TSHR (0.43) TSHRPOLBHTTGAATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP claimed
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 EP claimed
EP-1292271-B1 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KGAA (DE) 2006-11-08 EP claimed
US-6878170-B2 5,6-Dihydroxyindolines as additives for hair dyeing preparations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-04-12 US claimed
EP-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP claimed
US-20030208857-A1 5,6-Dihydroxyindolines as additives for hair dyeing preparations MATZIK IDUNA (DE) 2003-11-13 US claimed
EP-1311231-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-21 EP claimed
EP-1292271-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP claimed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP claimed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP claimed
US-20020032938-A1 5,6-dihydroxyindolines as additives for hair dyeing preparations MATZIK IDUNA (DE) 2002-03-21 US claimed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
WO-2001097754-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN, CONTAINING AT LEAST ONE QUINOXALINE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
WO-2001097762-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
WO-2001089460-A2 COLORANT FOR FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
WO-2001047485-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO claimed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO claimed
US-4797129-A NITRO HAIR DYES L'OREAL (FR) 1989-01-10 US claimed
EP-3086856-B1 PACKAGING ARTICLE COMPRISING AN ENVELOPE AND AN ANHYDROUS DYE COMPOSITION COMPRISING A DIRECT DYE, USE OF THE SAME AND PROCESS FOR DYEING KERATIN FIBRES OREAL (FR) 2019-05-15 EP disclosed
CN-107548301-A Contain composition of the menthol as soothing agent 西姆莱斯股份公司 2018-01-05 CN disclosed
US-9578944-B2 Compositions and methods for altering the appearance of hair L'OREAL (FR) 2017-02-28 US disclosed
US-9566221-B2 Methods for altering the color and appearance of hair L'OREAL (FR) 2017-02-14 US disclosed
US-9565915-B2 Compositions and methods for altering the appearance of hair L'OREAL (FR) 2017-02-14 US disclosed
US-20150265513-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'OREAL (FR) 2015-09-24 US disclosed
CN-104666115-A Oxidizing composition for the treatment of keratin fibres comprising a cationic polymer, a fatty amide and an anti-oxygen agent OREAL 2015-06-03 CN disclosed
US-20140326270-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2014-11-06 US disclosed
US-20140305464-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2014-10-16 US disclosed
CN-104066423-A Compositions and methods for altering the appearance of hair OREAL 2014-09-24 CN disclosed
CN-102015646-B Azomethine direct dyes or reduced precursors of these dyes obtained from 2-amino-3-hydroxypyridine, and hair dyeing process using these dyes and precursors OREAL 2014-09-03 CN disclosed
WO-2014074825-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'OREAL (FR) 2014-05-15 WO disclosed
CN-101874765-B Oxidizing composition for the treatment of keratin fibres comprising an oil, a fatty alcohol and an oxyalkylenated fatty alcohol OREAL 2013-09-18 CN disclosed
CN-102015646-A Azomethine direct dyes or reduced precursors of these dyes obtained from 2-amino-3-hydroxypyridine, and hair dyeing process using these dyes and precursors OREAL 2011-04-13 CN disclosed
CN-101999991-A Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye OREAL 2011-04-06 CN disclosed
CN-101945850-A Azomethine direct dyes or reduced precursors of azomethine direct dyes obtained from 2-alkylresorcinols, and hair dyeing method using these dyes or precursors OREAL 2011-01-12 CN disclosed
CN-101919792-A Use desalination of amino-trialkoxy silane or amino triolefin TMOS compositions and/or coloring human keratin fibers OREAL 2010-12-22 CN disclosed
CN-101889962-A Use comprises amino-trialkoxy silane or amino triolefin TMOS compound compositions desalination and/or coloring human keratin fibers and device OREAL 2010-11-24 CN disclosed
CN-101874765-A The oxidising composition of processing angle azelon that comprises the aliphatic alcohol of oil, aliphatic alcohol and oxidation alkylene OREAL 2010-11-03 CN disclosed
CN-101791275-A Oxidizing composition for the treatment of keratin fibres comprising a cationic polymer, a fatty amide and an antioxidant OREAL 2010-08-04 CN disclosed
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 EP disclosed
EP-1292271-B1 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KGAA (DE) 2006-11-08 EP disclosed
US-6878170-B2 5,6-Dihydroxyindolines as additives for hair dyeing preparations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-04-12 US disclosed
EP-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP disclosed
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP disclosed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 US disclosed
US-20030208857-A1 5,6-Dihydroxyindolines as additives for hair dyeing preparations MATZIK IDUNA (DE) 2003-11-13 US disclosed
US-6569211-B2 Mixture containing coupler HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-05-27 US disclosed
EP-1311231-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-21 EP disclosed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP disclosed
EP-1292271-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP disclosed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP disclosed
US-20020032938-A1 5,6-dihydroxyindolines as additives for hair dyeing preparations MATZIK IDUNA (DE) 2002-03-21 US disclosed
WO-2001097762-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed
WO-2001097754-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN, CONTAINING AT LEAST ONE QUINOXALINE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed
WO-2001089460-A2 COLORANT FOR FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO disclosed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO disclosed
WO-2001047485-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO disclosed
US-20010004779-A1 Novel p-aminophenol derivatives and the use thereof ROSE DAVID (DE) 2001-06-28 US disclosed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO disclosed
CN-1282317-A Novel P-aminophenol derivatives and use thereof HENKEL KGAA (DE) 2001-01-31 CN disclosed
EP-1044185-A2 NEW DERIVATIVES OF P-AMINOPHENOL AND THEIR USE Henkel Kommanditgesellschaft auf Aktien (DE) 2000-10-18 EP disclosed
WO-1999031054-A2 NOVEL P-AMINOPHENOL DERIVATIVES AND THE USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-24 WO disclosed
US-5685881-A Aromatic allylaminonitro compounds, hair dye compositions containing aromatic allylaminonitio compounds, and synthetic and natural fiber dyeing process HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-11-11 US disclosed
EP-0671900-B1 ALLYLAMINO-NITROAROMATES HENKEL KGAA (DE) 1996-08-14 EP disclosed
EP-0613366-B1 5,6-DIHYDROXYINDOLINE AS ADDITIVES FOR HAIR-DYEING PREPARATIONS HENKEL KGAA (DE) 1995-12-20 EP disclosed
US-4992586-A Dehalogenation of a halonitrobenzene compound L'OREAL (FR) 1991-02-12 US disclosed
US-4992586-A Dehalogenation of a halonitrobenzene compound L'OREAL (FR) 1991-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020032938-A1 5,6-dihydroxyindolines as additives for hair dyeing preparations SRD5A1, DRD1, DRD4 TSHR 3132/4885POLB 883/4885HTT 2200/4885
US-20030208857-A1 5,6-Dihydroxyindolines as additives for hair dyeing preparations SRD5A1, DRD1, DRD4 TSHR 3132/4885POLB 883/4885HTT 2200/4885
US-20010004779-A1 Novel p-aminophenol derivatives and the use thereof KRT18, S100P, CKAP4 TSHR 4840/4885POLB 1043/4885HTT 3004/4885
US-20150265513-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR COXFA4L2, TYR, COX5A TSHR 4564/4885POLB 239/4885HTT 968/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.