SCHEMBL1136820

SCHEMBL1136820

O=[N+]([O-])c1cc(NCC(O)CO)c(Cl)cc1NCC(O)CO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
GLA P06280 1/20 0.43
BCL6 P41182 2/20 0.37
BCOR Q6W2J9 2/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL10716987 0.94 MAPT (0.48) MAPTGLABCL6BCORLMNA
SCHEMBL10756290 0.94 MAPT (0.48) MAPTGLABCL6BCORLMNA
SCHEMBL10892179 0.89 MAPT (0.46) MAPTGLALMNAPKMMEN1
SCHEMBL111665 0.88 MAPT (0.54) MAPTGLABCL6BCORLMNA
SCHEMBL30100539 0.88 MAPT (0.54) MAPTGLABCL6BCORLMNA
SCHEMBL10758961 0.88 MAPT (0.54) MAPTGLABCL6BCORLMNA
SCHEMBL1741987 0.82 ALDH1A1 (0.54) MAPTLMNAPKMMEN1POLB
SCHEMBL11048215 0.82 MAPT (0.52) MAPTGLALMNAPKMMEN1
SCHEMBL8099339 0.79 MAPT (0.58) MAPTBCL6BCORLMNAPKM
SCHEMBL10442762 0.79 MEN1 (0.52) MAPTGLALMNAMEN1POLB

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003099242-A1 COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-12-04 WO claimed
US-5972044-A Composition and method for dyeing keratin fibers WELLA AG (DE) 1999-10-26 US claimed
EP-0867170-A2 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1998-09-30 EP claimed
EP-0708634-B1 DYES CONTAINING TETRAAMINOPYRIMIDINE AND DIRECT-DYEING AGENTS HENKEL KGAA (DE) 1997-09-03 EP claimed
EP-0708634-A1 DYES CONTAINING TETRAAMINOPYRIMIDINE AND DIRECT-DYEING AGENTS HENKEL KGAA (DE) 1996-05-01 EP claimed
WO-1995001713-A1 DYES CONTAINING TETRAAMINOPYRIMIDINE AND DIRECT-DYEING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-01-19 WO claimed
EP-0132568-B1 DERIVATIVES OF 1,4-DIAMINO-5-CHLORO-2-NITROBENZENE, PROCESS FOR THEIR PRODUCTION AND AGENTS FOR DYEING HAIR Wella Aktiengesellschaft (DE) 1987-01-28 EP claimed
EP-0132568-A1 Derivatives of 1,4-diamino-5-chloro-2-nitrobenzene, process for their production and agents for dyeing hair Wella Aktiengesellschaft (DE) 1985-02-13 EP claimed
EP-2705094-B1 DISULFIDE DYES BASF SE (DE) 2021-12-15 EP disclosed
US-20170273881-A1 COSMETIC COMPOSITION FOR KERATIN FIBRES ALFA PARF GROUP S.P.A. (IT) 2017-09-28 US disclosed
US-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 US disclosed
US-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 US disclosed
US-20160250118-A1 METHOD AND COMPOSITION TO REMODELLING KERATINIC FIBER ALFA PARF GROUP S.P.A. (IT) 2016-09-01 US disclosed
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2016-04-21 US disclosed
EP-0708634-A1 DYES CONTAINING TETRAAMINOPYRIMIDINE AND DIRECT-DYEING AGENTS HENKEL KGAA (DE) 1996-05-01 EP disclosed
WO-1995001713-A1 DYES CONTAINING TETRAAMINOPYRIMIDINE AND DIRECT-DYEING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-01-19 WO disclosed
WO-1995001713-A1 DYES CONTAINING TETRAAMINOPYRIMIDINE AND DIRECT-DYEING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-01-19 WO disclosed
US-4704474-A RED-TO-VIOLET DIRECT DYES WELLA AKTIENGESELLSCHAFT (DE) 1987-11-03 US disclosed
EP-0132568-B1 DERIVATIVES OF 1,4-DIAMINO-5-CHLORO-2-NITROBENZENE, PROCESS FOR THEIR PRODUCTION AND AGENTS FOR DYEING HAIR Wella Aktiengesellschaft (DE) 1987-01-28 EP disclosed
EP-0132568-A1 Derivatives of 1,4-diamino-5-chloro-2-nitrobenzene, process for their production and agents for dyeing hair Wella Aktiengesellschaft (DE) 1985-02-13 EP 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 (3 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-20160250118-A1 METHOD AND COMPOSITION TO REMODELLING KERATINIC FIBER KRT18, FABP2, CPT1A MAPT 172/4885GLA 2694/4885BCL6 163/4885
US-20170273881-A1 COSMETIC COMPOSITION FOR KERATIN FIBRES KRT18, GRHPR, CUTA MAPT 565/4885GLA 4/4885BCL6 3252/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885GLA 26/4885BCL6 2806/4885

“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.