Sugi Predict

Sugi Predict / Compounds / SCHEMBL1663494

SCHEMBL1663494

SCHEMBL1663494

CC(C)c1nc2c(I)c(O)ccc2c(=O)n1-c1ccc(C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.62
▸ ALDH1A2 O94788 1/20 0.42
▸ ALDH1A3 P47895 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ CXCR3 P49682 7/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ USP14 P54578 1/20 0.35
▸ CRHR1 P34998 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL11931961 0.89 TRPV1 (0.48) TRPV1ALDH1A2ALDH1A3ESR1ESR2
SCHEMBL11931942 0.88 TRPV1 (0.58) TRPV1ALDH1A2ALDH1A3ESR1ESR2
SCHEMBL10446186 0.87 TRPV1 (0.64) TRPV1ALDH1A2ALDH1A3ESR1ESR2
SCHEMBL10446401 0.87 TRPV1 (0.60) TRPV1ALDH1A2ALDH1A3ESR1ESR2
SCHEMBL15957771 0.86 RAB9A (0.45) TRPV1ESR1ESR2CXCR3KCNH2
SCHEMBL10445920 0.85 TRPV1 (0.61) TRPV1ALDH1A2ALDH1A3ESR1ESR2
SCHEMBL1663871 0.85 ESR1 (0.44) TRPV1ESR1ESR2RAB9ASMN1; SMN2
SCHEMBL10446190 0.84 TRPV1 (0.60) TRPV1ALDH1A2ALDH1A3ESR1ESR2
SCHEMBL1663348 0.84 TRPV1 (0.60) TRPV1ALDH1A2ALDH1A3ESR1ESR2
SCHEMBL1662486 0.84 TRPV1 (0.60) TRPV1ALDH1A2ALDH1A3ESR1ESR2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102653-B2 Substituted quinazolinones as vanilloid antagonists NOVARTIS AG (CH) 2015-08-11 — — US disclosed
US-9102653-B2 Substituted quinazolinones as vanilloid antagonists NOVARTIS AG (CH) 2015-08-11 — — US disclosed
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2014-10-23 — — US disclosed
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2014-10-23 — — US disclosed
US-8809528-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2014-08-19 — — US disclosed
US-8809528-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2014-08-19 — — US disclosed
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS CHEN WEICHUN (US) 2013-03-07 — — US disclosed
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS CHEN WEICHUN (US) 2013-03-07 — — US disclosed
US-8349852-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2013-01-08 — — US disclosed
US-8349852-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2013-01-08 — — US disclosed
US-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2010-08-05 — — US disclosed
WO-2010084050-A2 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2010-07-29 — — WO 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
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
US-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2008-08-14 — — US disclosed
US-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2008-08-14 — — US 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 (5 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-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CACNA1A, ALPI, CACNA1E TRPV1 57/4885ALDH1A2 2181/4885ALDH1A3 1561/4885
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, CACNA1A TRPV1 1/4885ALDH1A2 790/4885ALDH1A3 845/4885
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 TRPV1 1/4885ALDH1A2 2139/4885ALDH1A3 1670/4885
US-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists KCNA4, KCNA3, KCNB1 TRPV1 15/4885ALDH1A2 1202/4885ALDH1A3 1434/4885
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, KCNJ2, TRPV3 TRPV1 1/4885ALDH1A2 902/4885ALDH1A3 1152/4885

“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.