SCHEMBL5790948

SCHEMBL5790948

CC(C(=O)O)n1nnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
APAF1 O14727 1/20 0.57
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 2/20 0.50
GAA P10253 4/20 0.49
HPGD P15428 3/20 0.49
SLC9A1 P19634 2/20 0.49
MGAM O43451 2/20 0.49
AMY1A P0DUB6 2/20 0.49
SI P14410 2/20 0.49
MGAM2 Q2M2H8 2/20 0.49
F2 P00734 2/20 0.49
HCAR3 P49019 2/20 0.48
HCAR2 Q8TDS4 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
KEAP1 Q14145 1/20 0.46
ALDH1A1 P00352 3/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL2069140 0.85 HSD17B10 (0.50) POLBAPAF1HSD17B10KMT2AGAA
SCHEMBL19955495 0.83 HSD17B10 (0.51) POLBAPAF1HSD17B10KMT2AGAA
SCHEMBL28603963 0.82 HSD17B10 (0.60) POLBAPAF1HSD17B10KMT2AGAA
SCHEMBL9091462 0.81 POLB (0.51) POLBAPAF1KMT2AGAAHPGD
SCHEMBL345734 0.80 POLB (0.50) POLBAPAF1KMT2AGAAHPGD
SCHEMBL27807168 0.80 POLB (0.50) POLBAPAF1KMT2AGAAHPGD
SCHEMBL17464681 0.80 POLB (0.50) POLBAPAF1HSD17B10KMT2AGAA
SCHEMBL13401722 0.80 APAF1 (0.54) POLBAPAF1HSD17B10KMT2AGAA
SCHEMBL11881871 0.80 ALDH1A1 (0.69) POLBHSD17B10KMT2AALDH1A1RAB9A
SCHEMBL23791679 0.79 SLC9A1 (0.52) POLBAPAF1HSD17B10KMT2ASLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4110776-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2023-01-04 EP disclosed
US-9427442-B2 Fluoroalkyl and fluorocycloalkyl 1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
US-20160060232-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-03-03 US disclosed
US-9273014-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-9249157-B2 Tricyclic heterocycle compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9242940-B2 N-substituted bis(fluoroalkyl)-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-20150284342-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2015-10-08 US disclosed
US-9133139-B2 Fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-15 US disclosed
US-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 US disclosed
US-8999918-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US disclosed
US-20140357605-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-12-04 US disclosed
US-8822454-B2 Bisfluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2014-03-27 US disclosed
US-8629136-B2 Bisfluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-20120245151-A1 BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-7485162-B2 Polishing composition FUJIMI INCORPORATED (JP) 2009-02-03 US disclosed
US-20070176140-A1 Polishing composition and polishing method FUJIMI INCORPORATED (JP) 2007-08-02 US disclosed
EP-1640424-A1 Polishing composition and process for producing wiring structure using it FUJIMI INCORPORATED (JP) 2006-03-29 EP disclosed
US-20060060974-A1 Polishing composition and process for producing wiring structure using it FUJIMI INCORPORATED (JP) 2006-03-23 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 (6 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-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB POLB 4200/4885APAF1 2136/4885HSD17B10 2406/4885
US-20140357605-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 POLB 4284/4885APAF1 1756/4885HSD17B10 1553/4885
US-20120245151-A1 BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CYP2F1, RORC POLB 4550/4885APAF1 1316/4885HSD17B10 1850/4885
US-20160060232-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 POLB 4284/4885APAF1 1756/4885HSD17B10 1553/4885
US-20150246892-A1 N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, CNKSR1 POLB 4054/4885APAF1 3137/4885HSD17B10 2947/4885
US-20150284342-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 POLB 4284/4885APAF1 1756/4885HSD17B10 1553/4885

“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.