SCHEMBL16777947

SCHEMBL16777947

Cc1cccc2c1NC(=O)[C@H](N(Cc1ccccc1)C(=O)O)N=C2c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 11/20 0.49
NOTCH3 Q9UM47 8/20 0.49
RBPJ Q06330 3/20 0.44
CCKBR P32239 4/20 0.42
CCKAR P32238 3/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 2/20 0.37

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
SCHEMBL16777948 1.00 NOTCH1 (0.49) NOTCH1NOTCH3RBPJCCKBRCCKAR
SCHEMBL15608190 0.92 NOTCH1 (0.51) NOTCH1NOTCH3RBPJCCKBRCCKAR
SCHEMBL15608191 0.92 NOTCH1 (0.51) NOTCH1NOTCH3RBPJCCKBRCCKAR
SCHEMBL16777944 0.87 CCKBR (0.40) NOTCH1NOTCH3RBPJCCKBRCCKAR
SCHEMBL16777950 0.85 NOTCH1 (0.51) NOTCH1NOTCH3RBPJCCKBRCCKAR
SCHEMBL9573545 0.84 MEN1 (0.54) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL15608533 0.75 NOTCH1 (0.64) NOTCH1NOTCH3RBPJCCKBRCCKAR
SCHEMBL16777924 0.75 NOTCH1 (0.41) NOTCH1NOTCH3RBPJCCKBRCCKAR
SCHEMBL9865175 0.74 NOTCH1 (0.50) NOTCH1NOTCH3RBPJCCKBRMEN1
SCHEMBL9865173 0.74 NOTCH1 (0.50) NOTCH1NOTCH3RBPJCCKBRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273014-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US 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-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB NOTCH1 71/4885NOTCH3 47/4885RBPJ 136/4885

“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.