SCHEMBL5484250

SCHEMBL5484250

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.40
GPR35 Q9HC97 2/20 0.39
MAPK1 P28482 3/20 0.37
CYP1A2 P05177 1/20 0.36
ADRB2 P07550 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7522876 0.88 TSHR (0.46) TSHRTDP1ALDH1A1MAPTCYP3A4
SCHEMBL6057969 0.85 TSHR (0.43) TSHRTDP1ALDH1A1MAPTCYP3A4
SCHEMBL10586114 0.83 TDP1 (0.40) TSHRTDP1ALDH1A1MAPTCYP3A4
SCHEMBL17186886 0.83 ALDH1A1 (0.42) TSHRTDP1ALDH1A1MAPTCYP3A4
SCHEMBL17242666 0.80 TSHR (0.45) TSHRTDP1ALDH1A1MAPTCYP3A4
SCHEMBL3393735 0.79 GPR35 (0.46) TSHRTDP1ALDH1A1MAPTCYP3A4
SCHEMBL2718367 0.79 MAPT (0.44) TSHRTDP1ALDH1A1MAPTCYP3A4
SCHEMBL17186888 0.79 ALDH1A1 (0.41) TSHRTDP1ALDH1A1MAPTCYP3A4
SCHEMBL2337048 0.79 POLB (0.47) TSHRTDP1ALDH1A1MAPTCYP3A4
SCHEMBL16863642 0.78 TSHR (0.40) TSHRTDP1ALDH1A1MAPTCYP3A4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226973-A2 4-Bis(2'-hydroxyethyl)amino-1-(3'-hydroxypropyl)amino-2-nitro-benzene, process for its preparation and means for dyeing hair Wella Aktiengesellschaft (DE) 1987-07-01 EP claimed
US-7211119-B2 Coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-05-01 US disclosed
EP-1647266-A1 New coupler components Henkel Kommanditgesellschaft auf Aktien (DE) 2006-04-19 EP disclosed
US-20060016024-A1 Novel coupling components PARALLEL WIRELESS, INC. 2006-01-26 US disclosed
US-20060000032-A1 Novel coupling components HENKEL AG & CO. KGAA (DE) 2006-01-05 US disclosed
EP-1585488-A1 NOVEL PHENYLENEDIAMINE DERIVATIVE COUPLING CONSTITUENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP disclosed
EP-1583511-A1 NOVEL COUPLING COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-12 EP disclosed
EP-1575910-A1 DEVELOPING CONSTITUENTS FOR DYEING KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP disclosed
WO-2005072555-A2 TREATMENT DEVICE FOR TREATING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-08-11 WO disclosed
WO-2004058206-A1 NOVEL PHENYLENEDIAMINE DERIVATIVE COUPLING CONSTITUENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO disclosed
WO-2004058205-A1 NOVEL COUPLING COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO disclosed
WO-2004058690-A1 DEVELOPING CONSTITUENTS FOR DYEING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO disclosed
EP-1235673-A4 METHOD OF FORMING A MEMBRANE, ESPECIALLY A LATEX OR POLYMER MEMBRANE, INCLUDING MULTIPLE DISCRETE LAYERS BIO BARRIER INC (US) 2004-04-28 EP disclosed
US-20030021903-A1 Method of forming a membrane, especially a latex or polymer membrane, including multiple discrete layers BECK, JOHN 2003-01-30 US disclosed
EP-1235673-A2 METHOD OF FORMING A MEMBRANE, ESPECIALLY A LATEX OR POLYMER MEMBRANE, INCLUDING MULTIPLE DISCRETE LAYERS Bio Barrier, Inc. (US) 2002-09-04 EP disclosed
US-20010018095-A1 Method of forming a membrant, especially a latex or polymer membrane, including multiple discrete layers SHLENKER ROBIN RENEE THILL (US) 2001-08-30 US disclosed
US-5965276-A A FIRST LAYER OF CURED LATEX, A SECOND LAYER COATING OF LATEX CONTAINING A BIOCIDE OR INDICATOR AND THE THIRD LAYER OF LATEX -THE SECOND LAYER PARTIALLY BONDED TO THE FIRST AND THIRD; PROTECTIVE CLOTHING; SURGICAL GLOVES; CODOOMS BIO BARRIER, INC. (US) 1999-10-12 US disclosed
WO-1999020203-A2 METHOD OF FORMING A MEMBRANE, ESPECIALLY A LATEX OR POLYMER MEMBRANE, INCLUDING MULTIPLE DISCRETE LAYERS BIO BARRIER, INC. (US) 1999-04-29 WO disclosed
US-5549924-A CONDOM, SURGERY GLOVES Shlenker, Robin Renee Thill (US) 1996-08-27 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 (2 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-20060000032-A1 Novel coupling components KRT18, C9, H1-4 TSHR 3210/4885TDP1 2982/4885ALDH1A1 450/4885
US-20060016024-A1 Novel coupling components KRT18, H1-4, H1-3 TSHR 3630/4885TDP1 2432/4885ALDH1A1 1969/4885

“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.