SCHEMBL2475972

SCHEMBL2475972

Nc1ccc(NCc2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 14/20 0.63
▸ MAPT P10636 14/20 0.63
▸ KDM4E B2RXH2 13/20 0.63
▸ L3MBTL1 Q9Y468 12/20 0.63
▸ ALDH1A1 P00352 10/20 0.63
▸ ALOX15 P16050 9/20 0.63
▸ ALOX12 P18054 9/20 0.63
▸ MAPK1 P28482 9/20 0.63
▸ MEN1 O00255 6/20 0.63
▸ KMT2A Q03164 6/20 0.63
▸ TDP1 Q9NUW8 5/20 0.63
▸ APP P05067 1/20 0.63
▸ SNCA P37840 1/20 0.63
▸ HTT P42858 6/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ POLB P06746 1/20 0.58

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
SCHEMBL11936094 0.85 GAA (0.50) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL2464412 0.84 GAA (0.67) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL1843773 0.83 MAPT (0.80) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL2987241 0.82 PRMT6 (0.58) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL11936009 0.81 USP2 (0.49) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL14680275 0.81 MAPT (0.78) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL11936072 0.81 MAPT (0.79) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL455536 0.80 MEN1 (0.50) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL5154356 0.80 MEN1 (0.50) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL3422016 0.80 MEN1 (0.50) GAAMAPTKDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-1558204-B1 MEANS FOR COLOURING KERATIN FIBRES COMPRISING 2-AMINO-5-ETHYLPHENOL Wella GmbH (DE) 2011-10-12 — — EP disclosed
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 — — US disclosed
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 — — EP disclosed
US-7641702-B2 O-Aminophenol derivatives and colorants containing said compounds WELLA AG (DE) 2010-01-05 — — US disclosed
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 — — US disclosed
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2008-10-02 — — US disclosed
US-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 2005-07-21 — — US disclosed
US-20050129652-A1 Use of native zein for improving the condition of hair, and corresponding agent WELLA AKTIENGESELLSCHAFT (DE) 2005-06-16 — — US disclosed
US-20050011016-A1 Means for colouring keratin fibres comprising 2-amino-5-ethylphenol WELLA AKTIENGESELLSCHAFT (DE) 2005-01-20 — — US disclosed
US-6689174-B2 FOR OXIDATIVELY DYEING HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-02-10 — — US disclosed
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives CHASSOT LAURENT (CH) 2002-11-14 — — US disclosed
EP-1226107-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2002-07-31 — — EP disclosed
WO-2002018318-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 — — WO 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 (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 GAA 3251/4885MAPT 317/4885KDM4E 295/4885
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 GAA 2771/4885MAPT 1737/4885KDM4E 2209/4885
US-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives KRT18, CBR3, CCNB3 GAA 4729/4885MAPT 2990/4885KDM4E 1046/4885
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene TACR1, KRT18, AKR1C4 GAA 4835/4885MAPT 2140/4885KDM4E 1548/4885
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM GAA 3243/4885MAPT 725/4885KDM4E 1175/4885
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds CBR3, KRT18, F12 GAA 4664/4885MAPT 2168/4885KDM4E 1516/4885

“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.

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