SCHEMBL1663625

SCHEMBL1663625

CC(C)c1nc2cc(O)ccc2c(=O)n1Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
ESR1 P03372 2/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
ESR2 Q92731 1/20 0.40
KCNH2 Q12809 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KIF11 P52732 1/20 0.38
CACNA2D1 P54289 2/20 0.37
ALOX5AP P20292 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL1663833 0.86 TRPV1 (0.47) TRPV1HDAC1HDAC6KDM4EGAA
SCHEMBL1663990 0.85 TRPV1 (0.47) TRPV1ESR1HDAC1HDAC6ESR2
SCHEMBL27727704 0.85 AKR1B1 (0.49) TRPV1HDAC1HDAC6KCNH2KDM4E
SCHEMBL1666082 0.83 TRPV1 (0.47) TRPV1ESR1HDAC1HDAC6ESR2
SCHEMBL1663885 0.81 ALOX5AP (0.52) TRPV1HDAC1HDAC6MAPTCYP3A4
SCHEMBL1664148 0.80 TRPV1 (0.54) TRPV1ESR1HDAC1HDAC6ESR2
SCHEMBL1665294 0.80 TRPV1 (0.70) TRPV1ESR1ESR2KCNH2GAA
SCHEMBL1663421 0.80 TRPV1 (0.54) TRPV1ESR1HDAC1HDAC6ESR2
SCHEMBL1663099 0.78 TRPV1 (0.47) TRPV1ESR1HDAC1HDAC6ESR2
SCHEMBL1663587 0.77 TRPV1 (0.47) TRPV1ESR1HDAC1HDAC6ESR2

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 TRPV1 1/4885ESR1 1321/4885HDAC1 999/4885

“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.