SCHEMBL13359744

SCHEMBL13359744

CC(C)(C)OC(=O)Nc1ccccc1C(=O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 4/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ BDKRB1 P46663 1/20 0.48
▸ IDO1 P14902 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ METAP1 P53582 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2703465 0.89 ALDH1A1 (0.54) RXFP1BDKRB1IDO1KMT2AALDH1A1
SCHEMBL8427598 0.86 NAMPT (0.52) RXFP1BDKRB1IDO1KMT2ARAB9A
SCHEMBL18126653 0.84 KDM4C (0.52) CYP17A1KMT2AMEN1RAB9ANAMPT
SCHEMBL16109601 0.84 RXFP1 (0.48) RXFP1BDKRB1NPC1RAB9AALDH1A1
SCHEMBL10535438 0.82 TSHR (0.56) BDKRB1KMT2AMEN1NPC1RAB9A
SCHEMBL30816984 0.82 ALDH1A1 (0.52) RXFP1IDO1KMT2AALDH1A1POLB
SCHEMBL8426419 0.79 KMT2A (0.57) BDKRB1KMT2AMEN1NPC1RAB9A
SCHEMBL29663621 0.78 RXFP1 (0.55) RXFP1IDO1KMT2AMEN1NPC1
SCHEMBL29992092 0.78 RXFP1 (0.59) RXFP1IDO1KMT2AMEN1NPC1
SCHEMBL222446 0.78 RXFP1 (0.55) RXFP1KMT2AMEN1NPC1RAB9A

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 6 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

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-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 CYP17A1 2100/4885RXFP1 1494/4885BDKRB1 3589/4885
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION GABRA5, APP, GABRE CYP17A1 404/4885RXFP1 3571/4885BDKRB1 2840/4885
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, GABRE CYP17A1 425/4885RXFP1 3466/4885BDKRB1 2218/4885

“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.

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