SCHEMBL2477531

SCHEMBL2477531

COCCOc1ccc(N)cc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.68
MAPT P10636 3/20 0.68
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.68
HTT P42858 2/20 0.68
CASP1 P29466 2/20 0.68
USP2 O75604 2/20 0.68
MEN1 O00255 1/20 0.68
TP53 P04637 1/20 0.68
POLB P06746 1/20 0.68
CASP7 P55210 1/20 0.68
KMT2A Q03164 1/20 0.68
ATM Q13315 1/20 0.68
PRSS1 P07477 8/20 0.47
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39

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 SCHEMBL6258876 0.98 GAA (0.71) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL4729328 0.91 GAA (0.66) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL8099817 0.90 GAA (0.74) GAAMAPTKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL11224670 0.88 ALDH1A1 (0.78) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL4061067 0.86 ALDH1A1 (0.55) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL29736247 0.86 ALDH1A1 (0.55) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL11228216 0.85 ALDH1A1 (0.49) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL29835019 0.85 ALDH1A1 (0.49) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL6843117 0.84 GAA (0.67) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL11218926 0.84 GAA (0.71) GAAMAPTKDM4EALDH1A1HTT

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 178 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
CN-100549003-C 3-aminophenol derivatives and keratin fibre colorants comprising these compounds P & G CLAIROL INC (US) 2009-10-14 CN claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US claimed
CN-100358887-C m-aminophenol derivatives and dyes containing these compounds P & G CLAIROL INC (US) 2008-01-02 CN claimed
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed
CN-100349886-C 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2007-11-21 CN claimed
US-7294151-B2 Means and method for dyeing keratin fibres WELLA AG (DE) 2007-11-13 US claimed
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US claimed
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-16 US claimed
US-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-02 US claimed
US-20030172471-A1 1,3-diamino-4-(aminomethyl) - benzene derivatives and colorants containing the said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-09-18 US claimed
CN-1443154-A 3- (2, 5-diaminophenyl) -acrylamide derivatives and coloring agents containing said compounds WELLA AG (DE) 2003-09-17 CN claimed
CN-1437578-A (P-amino-hyaroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2003-08-20 CN claimed
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-31 US claimed
EP-1166749-A2 Composition and process for dyeing keratinic fibres Wella Aktiengesellschaft (DE) 2002-01-02 EP claimed
US-4330292-A CONTAINING AN OXIDATION BASE L'OREAL (FR) 1982-05-18 US claimed
US-4305717-A P-PHENYLENEDIAMINE OXIDIZING BASE AND COUPLER TO FORM INDAMINES L'OREAL (FR) 1981-12-15 US claimed
US-4094635-A Meta-aminophenol sulfonamides as couplers in hair dye compositions L'OREAL (FR) 1978-06-13 US 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 (5 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-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method KRT18, MKI67, F12 GAA 1709/4885MAPT 661/4885KDM4E 1060/4885
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds DPYD, AOC1, GPX4 GAA 1281/4885MAPT 755/4885KDM4E 4413/4885
US-20030172471-A1 1,3-diamino-4-(aminomethyl) - benzene derivatives and colorants containing the said compounds AOC1, DPYD, NDUFB4 GAA 2196/4885MAPT 898/4885KDM4E 2236/4885
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds KRT18, S100A4, CKAP4 GAA 3403/4885MAPT 460/4885KDM4E 251/4885
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK GAA 3318/4885MAPT 666/4885KDM4E 3412/4885

“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.