SCHEMBL8235223

SCHEMBL8235223

COc1cccc(C2=NC(NC(=O)OCc3ccccc3)C(=O)Nc3ccccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.63
BRD2 P25440 3/20 0.63
BRD3 Q15059 3/20 0.63
CCKBR P32239 15/20 0.52
CCKAR P32238 10/20 0.52

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
SCHEMBL17051376 0.90 BRD4 (0.61) BRD4BRD2BRD3CCKBRCCKAR
SCHEMBL15628270 0.90 BRD4 (0.62) BRD4BRD2BRD3CCKBRCCKAR
SCHEMBL11981799 0.90 BRD4 (0.62) BRD4BRD2BRD3CCKBRCCKAR
SCHEMBL641969 0.88 CCKBR (0.65) CCKBRCCKAR
SCHEMBL1574399 0.88 CCKBR (0.65) CCKBRCCKAR
SCHEMBL8711252 0.88 CCKBR (0.65) CCKBRCCKAR
SCHEMBL4413127 0.88 CCKBR (0.59) CCKBRCCKAR
Water SCHEMBL9229371 0.88 CCKBR (0.64) CCKBRCCKAR
SCHEMBL9258554 0.86 CCKBR (0.49) BRD4BRD2BRD3CCKBRCCKAR
SCHEMBL9258542 0.86 CCKBR (0.49) BRD4BRD2BRD3CCKBRCCKAR

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 7 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-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-12 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

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 BRD4 1331/4885BRD2 888/4885BRD3 1828/4885
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION GABRA5, APP, GABRE BRD4 1220/4885BRD2 1075/4885BRD3 1052/4885
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, GABRE BRD4 1550/4885BRD2 1451/4885BRD3 1513/4885
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production BACE1, APP, GABRE BRD4 1550/4885BRD2 1451/4885BRD3 1513/4885

“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.