SCHEMBL10099703

SCHEMBL10099703

CON(C)C(=O)c1cccc(CBr)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
BMP1 P13497 2/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL15608464 0.88 HPGD (0.40) HPGDPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL15631525 0.85 SMN1; SMN2 (0.41) HPGDPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL15608254 0.81 HPGD (0.54) HPGDPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL30114672 0.81 SMN1; SMN2 (0.47) HPGDPOLBSMN1; SMN2TSHRKMT2A
SCHEMBL1030553 0.81 SMN1; SMN2 (0.47) HPGDPOLBSMN1; SMN2TSHRKMT2A
SCHEMBL5880146 0.80 ALDH1A1 (0.44) HPGDPOLBTSHRKMT2AMEN1
SCHEMBL10099717 0.80 AURKA (0.36) HPGDPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL5838970 0.79 ALDH1A1 (0.35) HPGDPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL15608434 0.79 BACE1 (0.39) HPGDPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL4369127 0.78 TSHR (0.47) HPGDPOLBRAB9ATSHRKMT2A

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 17 patents. 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
EP-2897945-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS Bristol-Myers Squibb Company (US) 2015-07-29 EP 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-8999918-B2 Bis(fluoroalkyl)-1,4-benzodiazepinone compounds and prodrugs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-07 US disclosed
US-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2014-03-27 US disclosed
US-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2014-03-27 US disclosed
US-20140087992-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2014-03-27 US disclosed
WO-2014047372-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO 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 (2 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 HPGD 1493/4885POLB 4200/4885SMN1; SMN2 4680/4885
US-20150166489-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF CNR1, ROR1, RORB HPGD 1493/4885POLB 4200/4885SMN1; SMN2 4680/4885

“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.