SCHEMBL538169

SCHEMBL538169

Cc1ccccc1C(=O)c1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
MAPK13 O15264 5/20 0.58
MAPK12 P53778 5/20 0.58
MAPK11 Q15759 5/20 0.58
MAPK14 Q16539 5/20 0.58
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
CFTR P13569 1/20 0.52
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.44
MYC P01106 1/20 0.44

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
SCHEMBL29387256 0.87 CYP3A4 (0.55) GAAMAPTMAPK13MAPK12MAPK11
SCHEMBL112507 0.87 MAPT (0.74) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL30790667 0.87 MAPT (0.74) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL333141 0.87 CYP3A4 (0.55) GAAMAPTMAPK13MAPK12MAPK11
SCHEMBL14377998 0.86 GAA (0.53) GAAMAPTMAPK13MAPK12MAPK11
SCHEMBL28403451 0.86 MAPK13 (0.54) GAAMAPTMAPK13MAPK12MAPK11
SCHEMBL13955949 0.85 MAPT (0.57) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL8764887 0.84 MAPT (0.71) GAAMAPTALDH1A1HSD17B10CFTR
SCHEMBL10669335 0.84 CYP3A4 (0.59) GAAMAPTMAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL11745887 0.84 MAPT (0.71) GAAMAPTALDH1A1HSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897945-B1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
EP-2897945-B1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
US-9273014-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 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-9273014-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
US-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
US-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 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-8999918-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US disclosed
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO disclosed
EP-0076017-B1 PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR A.H. ROBINS COMPANY, INCORPORATED (US) 1990-08-16 EP disclosed
US-4668675-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-05-26 US disclosed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US disclosed
US-4495183-A ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-01-22 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed
EP-0076017-A2 Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor A.H. ROBINS COMPANY, INCORPORATED (US) 1983-04-06 EP 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 (1 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-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB GAA 4215/4885MAPT 4530/4885MAPK13 3490/4885

“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.