SCHEMBL2938103

SCHEMBL2938103

Nc1cccc(O)c1-c1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
CASP6 P55212 1/20 0.36
DHFR P00374 1/20 0.35
GRM5 P41594 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
EGFR P00533 1/20 0.34
PDPK1 O15530 1/20 0.33

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
SCHEMBL28903190 0.87 HSP90AA1 (0.48) HSP90AA1TSHRMAPK11MAPK14MAPK9
SCHEMBL1414824 0.80 CASP6 (0.43) ALOX15TSHRMAPK14MAPK9MAPK10
SCHEMBL2936803 0.78 KDM4E (0.48) HSP90AA1ALOX15TSHRLMNACYP1A2
SCHEMBL7099844 0.77 MMP2 (0.46) HSP90AA1ALOX15TSHRCASP6LMNA
SCHEMBL7098629 0.77 PARP1 (0.42) HSP90AA1CYP3A4KDM4EPRKACAMAPK13
SCHEMBL2931362 0.76 ALOX15 (0.43) ALOX15TSHRLMNACYP1A2CYP3A4
SCHEMBL11963779 0.75 GRM5 (0.48) HSP90AA1MAPK11MAPK14MAPK9MAPK10
SCHEMBL27576051 0.74 CASP6 (0.44) HSP90AA1ALOX15TSHRMAPK14MAPK9
Hydrochloric Acid SCHEMBL2935897 0.74 HSD17B1 (0.42) ALOX15TSHRLMNACYP1A2CYP3A4
SCHEMBL1265026 0.73 TDP2 (0.37) HSP90AA1MAPK11MAPK14MAPK9MAPK10

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 12 patents. 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
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US claimed
CN-1646478-A 3-aminophenol derivatives substituted in the 2-position and colorants comprising the same P & G CLAIROL INC (US) 2005-07-27 CN claimed
EP-1494995-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2005-01-12 EP claimed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US claimed
WO-2003087034-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 WO claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP disclosed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US disclosed
CN-1646478-A 3-aminophenol derivatives substituted in the 2-position and colorants comprising the same P & G CLAIROL INC (US) 2005-07-27 CN disclosed
EP-1494995-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2005-01-12 EP disclosed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US disclosed
WO-2003087034-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 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 (1 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-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds ALPP, TYR, RB1 HSP90AA1 4072/4885ALOX15 3697/4885TSHR 1081/4885

“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.