SCHEMBL16777944

SCHEMBL16777944

O=C1Nc2c(Br)cccc2C(c2ccccc2)=NC1N(Cc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.40
CCKAR P32238 7/20 0.40
HDAC1 Q13547 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTCH1 P46531 4/20 0.38
NOTCH3 Q9UM47 3/20 0.38
BACE1 P56817 2/20 0.35
RBPJ Q06330 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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 0.87 NOTCH1 (0.49) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL16777947 0.87 NOTCH1 (0.49) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL16777950 0.85 NOTCH1 (0.51) CCKBRCCKARHDAC1MEN1ALDH1A1
SCHEMBL9573545 0.84 MEN1 (0.54) CCKBRCCKARHDAC1MEN1ALDH1A1
SCHEMBL15608190 0.80 NOTCH1 (0.51) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL15608191 0.80 NOTCH1 (0.51) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL17030690 0.74 GABRA1 (0.45) CCKBRCCKARHDAC1MEN1ALDH1A1
SCHEMBL15608573 0.74 CCKBR (0.53) CCKBRCCKARNOTCH1NOTCH3
SCHEMBL15628180 0.73 SENP1 (0.54) CCKBRCCKAR
SCHEMBL16777930 0.70 MEN1 (0.44) CCKBRCCKARHDAC1MEN1ALDH1A1

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 CCKBR 337/4885CCKAR 228/4885HDAC1 752/4885

“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.