SCHEMBL1663040

SCHEMBL1663040

CC(C)c1nc2cc(O)c(O)cc2c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
TRPV1 Q8NER1 1/20 0.54
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
HTR6 P50406 1/20 0.41
HPD P32754 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GRM1 Q13255 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
SCHEMBL1663939 0.88 ESR1 (0.49) ESR1ESR2TRPV1KDM4ESMN1; SMN2
SCHEMBL1663398 0.86 TRPV1 (0.72) ESR1ESR2TRPV1KDM4ESMN1; SMN2
SCHEMBL1663858 0.82 TRPV1 (0.55) ESR1ESR2TRPV1KDM4ESMN1; SMN2
SCHEMBL1662878 0.81 ESR2 (0.84) ESR1ESR2TRPV1KDM4E
SCHEMBL1663337 0.79 NPC1 (0.56) ESR1ESR2TRPV1KDM4ESMN1; SMN2
SCHEMBL10446394 0.79 TRPV1 (0.52) ESR1ESR2TRPV1KDM4ESMN1; SMN2
SCHEMBL11931941 0.79 TRPV1 (0.52) ESR1ESR2TRPV1KDM4ESMN1; SMN2
SCHEMBL10446162 0.78 ESR1 (0.45) ESR1ESR2TRPV1KDM4ESMN1; SMN2
SCHEMBL1665830 0.77 TRPV1 (0.61) ESR1ESR2TRPV1KDM4ESMN1; SMN2
SCHEMBL14396195 0.77 ESR1 (0.44) ESR1ESR2TRPV1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
CN-101356160-A Trisubstituted quinazolinone derivatives as vanilloid antagonists JANSSEN PHARMACEUTICA NV (CH) 2009-01-28 CN disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 ESR1 1321/4885ESR2 2159/4885TRPV1 1/4885

“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.