SCHEMBL3135050

SCHEMBL3135050

N#Cc1cc(-c2ccc(N)c(O)c2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 2/20 0.55
PGR P06401 12/20 0.45
NR3C1 P04150 4/20 0.45
NR3C2 P08235 3/20 0.45
AR P10275 3/20 0.45
BRD4 O60885 1/20 0.44
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
NEK1 Q96PY6 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL21497120 0.78 PGR (0.43) HSD17B10CYP3A4PGRNR3C1NR3C2
Water SCHEMBL7721550 0.76 CYP3A4 (0.94) ALOX15HSD17B10CYP3A4BRD4MEN1
SCHEMBL3141614 0.75 CYP3A4 (0.61) ALOX15HSD17B10CYP3A4BRD4MEN1
SCHEMBL3137674 0.75 CYP3A4 (0.61) ALOX15HSD17B10CYP3A4BRD4MEN1
SCHEMBL23924225 0.74 CYP3A4 (1.00) ALOX15HSD17B10CYP3A4BRD4MEN1
SCHEMBL29549758 0.74 CYP3A4 (1.00) ALOX15HSD17B10CYP3A4BRD4MEN1
SCHEMBL29365557 0.74 CYP3A4 (1.00) ALOX15HSD17B10CYP3A4BRD4MEN1
SCHEMBL105866 0.74 CYP3A4 (1.00) ALOX15HSD17B10CYP3A4BRD4MEN1
SCHEMBL5843660 0.74 ALOX15 (0.65) ALOX15HSD17B10CYP3A4PGRBRD4
SCHEMBL31117797 0.73 MAOA (0.47) CYP3A4PGRNR3C1NR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2008-10-02 US claimed
EP-1768971-A1 NOVEL O-AMINOPHENOL DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2007-04-04 EP claimed
WO-2006007896-A1 NOVEL O-AMINOPHENOL DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-01-26 WO claimed
US-7641702-B2 O-Aminophenol derivatives and colorants containing said compounds WELLA AG (DE) 2010-01-05 US disclosed
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2008-10-02 US disclosed
EP-1768971-A1 NOVEL O-AMINOPHENOL DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2007-04-04 EP disclosed
WO-2006007896-A1 NOVEL O-AMINOPHENOL DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-01-26 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-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds CBR3, KRT18, F12 ALOX15 3757/4885HSD17B10 2013/4885CYP3A4 526/4885

“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.