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Sugi Predict / Compounds / SCHEMBL10446286

SCHEMBL10446286

SCHEMBL10446286

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ HTR6 P50406 1/20 0.39
▸ GRM1 Q13255 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL15957768 0.89 RAB9A (0.45) ESR1ESR2TRPV1SMN1; SMN2PDE10A
SCHEMBL10446162 0.88 ESR1 (0.45) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL2940780 0.87 TRPV1 (0.40) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL14396195 0.86 ESR1 (0.44) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL1663733 0.86 ESR1 (0.42) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL10446287 0.86 ESR1 (0.42) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL1664062 0.86 ESR1 (0.42) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL1663871 0.85 ESR1 (0.44) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL10446404 0.84 ESR1 (0.43) ESR1ESR2TRPV1KDM4EHTR6
SCHEMBL10445926 0.84 ESR1 (0.41) 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 18 patents. 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-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2012-07-19 — — US disclosed
US-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2012-07-19 — — US disclosed
US-8211902-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2012-07-03 — — US disclosed
US-8211902-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2012-07-03 — — US disclosed
US-20110195983-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2011-08-11 — — US disclosed
US-20110195983-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2011-08-11 — — US disclosed
EP-1755606-B2 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2011-06-29 — — EP disclosed
US-7960399-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2011-06-14 — — US disclosed
US-7960399-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2011-06-14 — — 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110195983-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, TRPV5 ESR1 2881/4885ESR2 3386/4885TRPV1 1/4885
US-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, TRPV5 ESR1 2881/4885ESR2 3386/4885TRPV1 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.