SCHEMBL3287399

SCHEMBL3287399

C=CC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CCC)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 14/20 1.00
RBPJ Q06330 4/20 1.00
PSEN1 P49768 1/20 0.69
PSEN2 P49810 1/20 0.69
APH1B Q8WW43 1/20 0.69
NCSTN Q92542 1/20 0.69
APH1A Q96BI3 1/20 0.69
PSENEN Q9NZ42 1/20 0.69
NOTCH3 Q9UM47 10/20 0.62
CCKBR P32239 2/20 0.51
NOTCH2 Q04721 1/20 0.49
NOTCH4 Q99466 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4110243 1.00 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3290276 1.00 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3290519 1.00 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287598 0.94 NOTCH1 (0.88) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3293651 0.94 NOTCH1 (0.88) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL4496795 0.92 NOTCH1 (0.86) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL4488196 0.91 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL4486190 0.91 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3293655 0.90 NOTCH1 (0.83) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL8244069 0.90 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 8 patents. 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 disclosed
US-7456172-B2 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-25 US disclosed
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-08-28 US disclosed
US-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-17 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-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 (4 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-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's PSEN1, APP, GABRA6 NOTCH1 528/4885RBPJ 3834/4885PSEN1 1/4885
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.