SCHEMBL5159607

SCHEMBL5159607

Nc1ccc(O)cc1CC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
NLRP3 Q96P20 1/20 0.51
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
FPR2 P25090 2/20 0.46
FPR1 P21462 1/20 0.46
HPGD P15428 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
HDAC1 Q13547 1/20 0.41
ALOX12 P18054 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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 0.91 CYP1A1 (0.47) KMT2AMEN1NLRP3ALDH1A1CA12
SCHEMBL5165538 0.86 NLRP3 (0.51) KMT2AMEN1NLRP3HTTLMNA
SCHEMBL5162082 0.86 GAA (0.54) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL5162602 0.86 POLB (0.51) KMT2AMEN1NLRP3SMN1; SMN2RAB9A
SCHEMBL3815239 0.85 CYP1A2 (0.53) KMT2AMEN1NLRP3LMNAHDAC1
SCHEMBL5159531 0.85 NLRP3 (0.54) KMT2AMEN1NLRP3HTTSMN1; SMN2
SCHEMBL5161267 0.84 NLRP3 (0.45) KMT2AMEN1NLRP3
SCHEMBL5162150 0.83 RAB9A (0.48) HTTLMNASMN1; SMN2ALDH1A1CA1
SCHEMBL5162232 0.82 MAPT (0.49) KMT2AHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL5162662 0.82 NLRP3 (0.54) KMT2AMEN1NLRP3HTTLMNA

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 4874/4885NLRP3 4180/4885

“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.