SCHEMBL5164584

SCHEMBL5164584

COc1cccc(NC(=O)Cc2cc(O)ccc2N)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
NLRP3 Q96P20 1/20 0.57
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 2/20 0.52
ANO1 Q5XXA6 1/20 0.52
MTNR1B P49286 1/20 0.51
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL5162662 0.86 NLRP3 (0.54) NLRP3KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL5164495 0.86 NLRP3 (0.56) NLRP3KMT2AMEN1ALDH1A1
Ammonia Solution, Strong SCHEMBL5163148 0.84 NLRP3 (0.55) NLRP3KMT2AMEN1ALDH1A1RAB9A
SCHEMBL5165552 0.84 NLRP3 (0.54) NLRP3KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL3815239 0.82 CYP1A2 (0.53) NLRP3KMT2AMEN1L3MBTL1LMNA
SCHEMBL5162820 0.81 USP2 (0.61) USP2KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL5159531 0.81 NLRP3 (0.54) NLRP3KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL5162730 0.81 KCNJ5 (0.61) NLRP3KMT2AMEN1L3MBTL1LMNA
SCHEMBL5159570 0.81 KMT2A (0.57) NLRP3KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL8705939 0.81 USP2 (0.80) USP2NLRP3KMT2AMEN1HPGD

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 USP2 4037/4885NLRP3 4180/4885KMT2A 1287/4885

“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.