SCHEMBL2934747

SCHEMBL2934747

Nc1cccc(O)c1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
KMT2A Q03164 2/20 0.41
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
NPSR1 Q6W5P4 3/20 0.38
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PTGS1 P23219 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
KDM1A O60341 2/20 0.35

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
SCHEMBL5835011 0.81 KMT2A (0.41) KIF11KMT2AALOX5APFEN1NPSR1
SCHEMBL2938343 0.79 NOS3 (0.47) ALOX5APFEN1KDM4EPTGS1ALDH1A1
SCHEMBL2934696 0.79 KDM1A (0.38) ALOX5APFEN1TSHRKDM1ANPC1
SCHEMBL2938865 0.78 KIF11 (0.48) KIF11KDM4EPTGS1ALDH1A1CYP1A2
SCHEMBL16915425 0.76 HSD17B10 (0.48) KIF11KMT2AALOX5APFEN1NPSR1
SCHEMBL2938575 0.76 HSP90AA1 (0.38) KMT2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL31114170 0.76 CYP11B1 (0.43) KIF11KMT2AALOX5APFEN1NPSR1
SCHEMBL2931163 0.76 CCR1 (0.50) KDM4EALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL28510482 0.76 CYP11B1 (0.43) KIF11KMT2AALOX5APFEN1NPSR1
SCHEMBL1859508 0.74 KIF11 (0.41) KIF11KMT2AALOX5APFEN1NPSR1

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 10 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
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
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 KIF11 4446/4885KMT2A 1774/4885ALOX5AP 2392/4885

“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.