SCHEMBL17030706

SCHEMBL17030706

NC1N=C(c2cccc(Cl)c2)c2cccc(F)c2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 10/20 0.43
NOTCH3 Q9UM47 7/20 0.43
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
ALB P02768 1/20 0.40
KMT2A Q03164 1/20 0.40
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39
CHRM1 P11229 3/20 0.38
RBPJ Q06330 3/20 0.37
PGR P06401 2/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL17030708 0.89 NOTCH1 (0.42) NOTCH1NOTCH3LMNARBPJ
SCHEMBL17030687 0.88 NOTCH1 (0.42) NOTCH1NOTCH3LMNAMEN1ALB
SCHEMBL15622047 0.86 NOTCH1 (0.45) NOTCH1NOTCH3LMNAMEN1ALB
SCHEMBL22455443 0.86 NOTCH1 (0.45) NOTCH1NOTCH3LMNAMEN1ALB
SCHEMBL15622200 0.86 NOTCH1 (0.45) NOTCH1NOTCH3LMNAMEN1ALB
SCHEMBL29692154 0.86 NOTCH1 (0.45) NOTCH1NOTCH3LMNAMEN1ALB
SCHEMBL15622296 0.86 NOTCH1 (0.47) NOTCH1NOTCH3CCKBRRBPJ
SCHEMBL15629462 0.86 NOTCH1 (0.54) NOTCH1NOTCH3LMNAMEN1ALB
SCHEMBL17019559 0.86 NOTCH1 (0.47) NOTCH1NOTCH3CCKBRRBPJ
SCHEMBL15622551 0.86 NOTCH1 (0.54) NOTCH1NOTCH3LMNAMEN1ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897947-B1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-METERS SQUIBB COMPANY (US) 2015-08-27 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-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 NOTCH1 61/4885NOTCH3 34/4885LMNA 2703/4885

“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.