SCHEMBL3295115

SCHEMBL3295115

C=CC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 11/20 1.00
RBPJ Q06330 4/20 1.00
PSEN1 P49768 1/20 0.65
PSEN2 P49810 1/20 0.65
APH1B Q8WW43 1/20 0.65
NCSTN Q92542 1/20 0.65
APH1A Q96BI3 1/20 0.65
PSENEN Q9NZ42 1/20 0.65
NOTCH3 Q9UM47 7/20 0.60
CCKBR P32239 6/20 0.51
CCKAR P32238 1/20 0.51
NOTCH2 Q04721 1/20 0.50
NOTCH4 Q99466 1/20 0.50
LMNA P02545 1/20 0.49
OPRK1 P41145 1/20 0.49
PDE3A Q14432 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3289545 1.00 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL18634766 1.00 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287204 1.00 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL8427634 0.92 NOTCH1 (0.84) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL4110386 0.91 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3292150 0.91 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL5839093 0.91 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL8244069 0.91 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3293655 0.91 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287486 0.91 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718795-B2 Succinoylamino benzodiazepines as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-05-18 US claimed
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-08-28 US claimed
US-7053084-B1 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-30 US claimed
US-20060025407-A1 Succinoylaminobenzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-02-02 US claimed
EP-2897938-B1 FLUOROALKYL DIBENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
EP-2897945-B1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-2897946-B1 N-SUBSTITUTED BIS(FLUOROALKKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
EP-2897947-B1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
EP-2897954-B1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
EP-2897944-B1 SUBSTITUTED 1,5-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
EP-2897942-B1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
US-9427442-B2 Fluoroalkyl and fluorocycloalkyl 1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 US disclosed
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 US disclosed
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 US disclosed
US-7053084-B1 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-30 US disclosed
US-20060025407-A1 Succinoylaminobenzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-02-02 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 (3 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-20060025407-A1 Succinoylaminobenzodiazepines as inhibitors of Abeta protein production BACE1, APP, APH1B NOTCH1 134/4885RBPJ 2432/4885PSEN1 4/4885
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, GABRE NOTCH1 539/4885RBPJ 2293/4885PSEN1 5/4885
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production BACE1, APP, GABRE NOTCH1 539/4885RBPJ 2293/4885PSEN1 5/4885

“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.