SCHEMBL7548748

SCHEMBL7548748

Cc1cccc2c1NC(=O)C(NC(=O)OCc1ccccc1)N=C2C(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 5/20 0.44
NOTCH3 Q9UM47 3/20 0.44
BRD4 O60885 6/20 0.42
BRD2 P25440 6/20 0.42
BRD3 Q15059 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RBPJ Q06330 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
CCKBR P32239 1/20 0.40
CASP3 P42574 1/20 0.39

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
SCHEMBL7548754 1.00 NOTCH1 (0.44) NOTCH1NOTCH3BRD4BRD2BRD3
SCHEMBL7550811 0.88 BRD4 (0.45) NOTCH1NOTCH3BRD4BRD2BRD3
SCHEMBL7550804 0.88 BRD4 (0.45) NOTCH1NOTCH3BRD4BRD2BRD3
SCHEMBL7551528 0.87 NOTCH1 (0.43) NOTCH1NOTCH3BRD4BRD2BRD3
SCHEMBL7551538 0.87 NOTCH1 (0.43) NOTCH1NOTCH3BRD4BRD2BRD3
SCHEMBL9256006 0.86 CCKBR (0.51) CCKBR
SCHEMBL6302368 0.86 CCKBR (0.51) CCKBR
SCHEMBL7544237 0.86 CCKBR (0.51) CCKBR
SCHEMBL7545546 0.85 BRD4 (0.43) NOTCH1NOTCH3BRD4BRD2BRD3
SCHEMBL7544346 0.85 BRD4 (0.43) NOTCH1NOTCH3BRD4BRD2BRD3

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
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US disclosed
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998015535-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-16 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 (2 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-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 NOTCH1 3631/4885NOTCH3 4224/4885BRD4 179/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 NOTCH1 3631/4885NOTCH3 4224/4885BRD4 179/4885

“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.