SCHEMBL1663516

SCHEMBL1663516

COc1ccc2c(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.55
CA12 O43570 2/20 0.55
CA2 P00918 2/20 0.55
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
TP53 P04637 3/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 2/20 0.52
MIF P14174 1/20 0.52
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.50
HTR3A P46098 1/20 0.49
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.47
RECQL P46063 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL1662139 0.84 CA12 (0.52) CA9CA12CA2KDM4EALDH1A1
SCHEMBL2117997 0.80 ALDH1A1 (0.62) KDM4EALDH1A1HPGDTP53KMT2A
SCHEMBL4253425 0.79 KDM4E (0.79) KDM4EALDH1A1HPGDTP53KMT2A
SCHEMBL6973438 0.78 HSD17B10 (0.66) KDM4EALDH1A1HPGDTP53KMT2A
SCHEMBL7467623 0.78 CMA1 (0.75) CA9CA12CA2KDM4EALDH1A1
SCHEMBL4254796 0.78 ALDH1A1 (0.79) KDM4EALDH1A1HPGDTP53KMT2A
SCHEMBL8480237 0.76 MEN1 (0.73) CA9CA12CA2KDM4EALDH1A1
SCHEMBL6977596 0.76 KDM4E (0.73) CA9CA12KDM4EALDH1A1HPGD
SCHEMBL707203 0.76 ADORA3 (0.56) CA9CA12CA2KDM4EALDH1A1
SCHEMBL4931135 0.76 GABRP (0.56) KDM4EALDH1A1HPGDKMT2ALMNA

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 8 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
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
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US 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
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 CA9 3816/4885CA12 4672/4885CA2 828/4885

“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.