SCHEMBL3484480

SCHEMBL3484480

O=C(N[C@@H]1CSc2ccccc2NC1=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 4/20 0.51
▸ IDO1 P14902 4/20 0.48
▸ TDO2 P48775 2/20 0.48
▸ PREP P48147 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL3484484 1.00 NAAA (0.51) NAAAIDO1TDO2PREPALDH1A1
SCHEMBL3485068 1.00 NAAA (0.51) NAAAIDO1TDO2PREPALDH1A1
SCHEMBL7872593 0.88 NAAA (0.51) NAAAIDO1TDO2PREPALDH1A1
SCHEMBL7872594 0.88 NAAA (0.51) NAAAIDO1TDO2PREPALDH1A1
SCHEMBL31375607 0.87 NAAA (0.46) NAAAIDO1TDO2PREPALDH1A1
SCHEMBL10672051 0.85 NAAA (0.44) NAAAIDO1TDO2PREPTSHR
SCHEMBL31628107 0.85 LMNA (0.49) NAAAIDO1TDO2PREPALDH1A1
SCHEMBL8166405 0.81 HSD17B10 (0.46) ALDH1A1TSHR
SCHEMBL8136446 0.81 HSD17B10 (0.46) ALDH1A1TSHR
SCHEMBL7485886 0.81 HSD17B10 (0.46) ALDH1A1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2010-06-10 — — US disclosed
US-6316413-B1 HETEROCYCLIC OLIGOPEPTIDE DERIVATIVES FOURNIER INDUSTRIE ET SANTE (FR) 2001-11-13 — — US disclosed
EP-0948524-A1 PEPTIDES AGONISTS OF BRADYKININE B 2? RECEPTOR FOURNIER INDUSTRIE ET SANTE (FR) 1999-10-13 — — EP disclosed
WO-1998024809-A1 PEPTIDES AGONISTS OF BRADYKININE B2 RECEPTOR FOURNIER INDUSTRIE ET SANTE (FR) 1998-06-11 — — WO disclosed
US-5618808-A Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists PFIZER, INC. (US) 1997-04-08 — — US disclosed
EP-0648213-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-04-19 — — EP disclosed
WO-1994001421-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-01-20 — — 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-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers TRPV1, TRPV4, CACNA1B NAAA 1971/4885IDO1 1829/4885TDO2 2908/4885

“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.

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