SCHEMBL16777930

SCHEMBL16777930

CC(C)(C)[Si](C)(C)OCc1ccc(C2=NC(N(Cc3ccccc3)C(=O)O)C(=O)Nc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
CCKBR P32239 10/20 0.43
CCKAR P32238 8/20 0.43
HDAC1 Q13547 1/20 0.38
NOTCH1 P46531 2/20 0.37
NOTCH3 Q9UM47 1/20 0.37
RBPJ Q06330 1/20 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
SCHEMBL9573545 0.83 MEN1 (0.54) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL15608470 0.81 CCKBR (0.56) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL15608412 0.80 MEN1 (0.43) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL15629497 0.80 CCKBR (0.55) CCKBRCCKAR
SCHEMBL16777924 0.79 NOTCH1 (0.41) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL16777947 0.72 NOTCH1 (0.49) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL16777948 0.72 NOTCH1 (0.49) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL8741334 0.72 CCKBR (0.58) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL16777944 0.70 CCKBR (0.40) MEN1ALDH1A1KMT2ACCKBRCCKAR
SCHEMBL16777950 0.68 NOTCH1 (0.51) MEN1ALDH1A1KMT2ACCKBRCCKAR

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 MEN1 1075/4885ALDH1A1 899/4885KMT2A 733/4885

“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.