SCHEMBL5159570

SCHEMBL5159570

Nc1ccc(O)cc1CC(=O)Nc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
ANO1 Q5XXA6 4/20 0.46
MAPT P10636 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
NLRP3 Q96P20 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
AURKB Q96GD4 1/20 0.43

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
SCHEMBL5164495 0.89 NLRP3 (0.56) KMT2AMEN1NLRP3ALDH1A1
Ammonia Solution, Strong SCHEMBL5163148 0.88 NLRP3 (0.55) KMT2AMEN1MAPTNLRP3ALDH1A1
SCHEMBL5162082 0.85 GAA (0.54) KMT2AMEN1SMN1; SMN2ANO1MAPT
SCHEMBL3815239 0.85 CYP1A2 (0.53) KMT2AMEN1NLRP3
SCHEMBL5159531 0.84 NLRP3 (0.54) KMT2AMEN1SMN1; SMN2ANO1MAPT
SCHEMBL5162730 0.84 KCNJ5 (0.61) KMT2AMEN1ANO1MAPTTRPV1
SCHEMBL5165552 0.84 NLRP3 (0.54) KMT2AMEN1SMN1; SMN2NLRP3KDM4E
SCHEMBL5162624 0.84 NLRP3 (0.57) KMT2AMEN1SMN1; SMN2ANO1MAPT
SCHEMBL5162086 0.82 ALDH1A1 (0.61) KMT2AMEN1SMN1; SMN2MAPTTRPV1
SCHEMBL5163021 0.82 CYP1A1 (0.47) KMT2AMEN1MAPTTRPV1NLRP3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 EP claimed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 EP disclosed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 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-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds KRT18, S100A4, CKAP4 KMT2A 1287/4885MEN1 4874/4885SMN1; SMN2 4622/4885

“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.