SCHEMBL143013

SCHEMBL143013

NCc1cc(N)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
CASP1 P29466 4/20 0.39
AOC1 P19801 2/20 0.38
AOC3 Q16853 2/20 0.38
PRKCI P41743 1/20 0.38
CYP3A4 P08684 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
RECQL P46063 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 2/20 0.37
THRB P10828 2/20 0.37
USP2 O75604 2/20 0.37
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37

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
Hydrochloric Acid SCHEMBL6677006 0.97 MAPT (0.40) LOXL2CASP1AOC1AOC3PRKCI
Hydrochloric Acid SCHEMBL6741153 0.97 MAPT (0.40) LOXL2CASP1AOC1AOC3PRKCI
Hydrochloric Acid SCHEMBL7130278 0.97 MAPT (0.40) LOXL2CASP1AOC1AOC3PRKCI
Sulfuric Acid SCHEMBL6680851 0.87 ALDH1A1 (0.55) LOXL2CASP1PRKCICYP3A4ALDH1A1
SCHEMBL4799943 0.84 GAA (0.39) CASP1PRKCIALDH1A1MAPTMEN1
SCHEMBL18469203 0.82 TAAR1 (0.40) CASP1PRKCICYP3A4ALDH1A1MAPT
SCHEMBL3786331 0.81 CYP3A4 (0.48) LOXL2CYP3A4ALDH1A1MAPTMEN1
SCHEMBL10952738 0.81 CASP1 (0.40) CASP1PRKCICYP3A4ALDH1A1MAPT
SCHEMBL5253257 0.81 MAPT (0.46) CASP1PRKCICYP3A4ALDH1A1MAPT
SCHEMBL7630469 0.81 ALDH1A1 (0.44) CASP1PRKCICYP3A4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 EP claimed
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene PROCTER & GAMBLE COMPANY, THE 2007-02-15 US claimed
EP-1752192-A1 Oxidizing hair coloring agents containing m-Aminophenol derivatives Wella Aktiengesellschaft (DE) 2007-02-14 EP claimed
US-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-01 US claimed
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP claimed
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-18 US claimed
US-6602302-B1 Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair WELLA AG (DE) 2003-08-05 US claimed
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US claimed
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-22 US claimed
EP-1310479-A1 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof Wella Aktiengesellschaft (DE) 2003-05-14 EP claimed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP claimed
US-6461390-B1 Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US claimed
US-6409773-B1 AMINOPHENOL COUPLERS CLAIROL INCORPORATED 2002-06-25 US claimed
WO-2002047635-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2002-06-20 WO claimed
EP-1110942-A2 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof, and their use in dyeing composition for keratin fibers Wella Aktiengesellschaft (DE) 2001-06-27 EP claimed

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

For each of this compound's patents that has machine-readable text (6 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-20070022546-A1 3-Amino-2-aminomethylphenol derivatives and colorants comprising these compounds KRT18, COL2A1, COL1A1 LOXL2 1271/4885CASP1 2871/4885AOC1 783/4885
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 LOXL2 2122/4885CASP1 1171/4885AOC1 5/4885
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene TACR1, KRT18, AKR1C4 LOXL2 1868/4885CASP1 1016/4885AOC1 46/4885
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives KRT18, DSP, TUBB4B LOXL2 2432/4885CASP1 1064/4885AOC1 27/4885
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives KRT18, DSP, DSG1 LOXL2 3309/4885CASP1 967/4885AOC1 21/4885
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO LOXL2 1161/4885CASP1 904/4885AOC1 2/4885

“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.