SCHEMBL5162086

SCHEMBL5162086

Nc1ccc(O)cc1CC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
POLB P06746 4/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.56
DDX3X O00571 1/20 0.56
HTT P42858 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CHIT1 Q13231 1/20 0.53
NPC1 O15118 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
BLM P54132 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL5161789 0.87 KMT2A (0.53) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL5164495 0.87 NLRP3 (0.56) ALDH1A1MEN1KMT2ACYP1A2
Ammonia Solution, Strong SCHEMBL5163148 0.85 NLRP3 (0.55) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL3815239 0.83 CYP1A2 (0.53) MEN1KMT2AL3MBTL1CYP1A2CYP2D6
SCHEMBL5163734 0.82 RAB9A (0.62) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL5162730 0.82 KCNJ5 (0.61) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL5159570 0.82 KMT2A (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5159531 0.82 NLRP3 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5165552 0.82 NLRP3 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5163021 0.80 CYP1A1 (0.47) ALDH1A1MEN1KMT2AMAPTTRPV1

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 ALDH1A1 309/4885SMN1; SMN2 4622/4885MEN1 4874/4885

“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.