SCHEMBL5161789

SCHEMBL5161789

Nc1ccc(O)cc1CC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 3/20 0.53
HSP90AA1 P07900 1/20 0.49
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
GFER P55789 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 3/20 0.47
HDAC1 Q13547 1/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5163021 0.87 CYP1A1 (0.47) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL5162086 0.87 ALDH1A1 (0.61) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL5162602 0.82 POLB (0.51) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL5162082 0.82 GAA (0.54) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL5159607 0.82 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL5165538 0.82 NLRP3 (0.51) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL3815239 0.82 CYP1A2 (0.53) KMT2AMEN1LMNAHDAC1
SCHEMBL5162038 0.82 MEN1 (0.53) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL5161267 0.81 NLRP3 (0.45) KMT2AMEN1GAA
SCHEMBL5162150 0.80 RAB9A (0.48) ALDH1A1HTTLMNAPOLBHDAC1

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 4874/4885MAPT 460/4885

“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.