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Sugi Predict / Compounds / SCHEMBL1664062

SCHEMBL1664062

SCHEMBL1664062

CC(C)c1nc2c(CO)c(O)ccc2c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ HTR6 P50406 1/20 0.38
▸ GRM1 Q13255 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL10446287 0.91 ESR1 (0.42) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL1664438 0.89 RAB9A (0.43) ESR1ESR2TRPV1SMN1; SMN2CYP1A2
SCHEMBL10445926 0.89 ESR1 (0.41) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL10446286 0.86 ESR1 (0.44) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL10446162 0.85 ESR1 (0.45) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL1663348 0.85 TRPV1 (0.60) ESR1ESR2TRPV1PDE10AKCNH2
SCHEMBL11931962 0.85 TRPV1 (0.47) ESR1ESR2TRPV1SMN1; SMN2CYP1A2
SCHEMBL14396195 0.84 ESR1 (0.44) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL1663871 0.83 ESR1 (0.44) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL1663570 0.82 KDM4E (0.39) ESR1ESR2TRPV1KDM4EHTR6

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 29 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
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 — — EP disclosed
US-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2010-08-05 — — 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
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
EP-1755606-B1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-10-31 — — 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 (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 ESR1 2832/4885ESR2 2694/4885TRPV1 57/4885
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, CACNA1A ESR1 2643/4885ESR2 3042/4885TRPV1 1/4885
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 ESR1 1321/4885ESR2 2159/4885TRPV1 1/4885
US-20100197705-A1 Quinazolinone Derivatives Useful as Vanilloid Antagonists KCNA4, KCNA3, KCNB1 ESR1 2220/4885ESR2 2917/4885TRPV1 15/4885
US-20130060029-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, KCNJ2, TRPV3 ESR1 3801/4885ESR2 3664/4885TRPV1 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.