SCHEMBL15628211

SCHEMBL15628211

Cc1cc(F)c(N)c(C(=O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.46
AKR1C3 P42330 1/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK14 Q16539 1/20 0.43
PBRM1 Q86U86 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
SCHEMBL28404299 0.85 MAPT (0.55) MAPTGAANPC1MAPK1HTT
SCHEMBL4630763 0.85 KDM4E (0.62) MAPTGAANPC1MAPK1HTT
SCHEMBL7550690 0.85 KDM4E (0.62) MAPTGAANPC1MAPK1HTT
SCHEMBL14917063 0.82 MAPT (0.47) MAPTGAAHTTPOLBALDH1A1
SCHEMBL9753264 0.79 AKR1C3 (0.51) MAPTGAAHPGDNPC1MAPK1
SCHEMBL9327289 0.79 AKR1C3 (0.51) MAPTGAANPC1MAPK1HTT
SCHEMBL9748170 0.78 ABCB11 (0.51) MAPTGAALMNA
SCHEMBL6120291 0.78 KDM4E (0.68) MEN1KMT2A
SCHEMBL15793447 0.78 MAPT (0.50) MAPTGAAMAPK1HTTPOLB
SCHEMBL7812447 0.77 MAPT (0.58) MAPTGAAPOLBAKR1C3MEN1

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
EP-2897947-B1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-METERS SQUIBB COMPANY (US) 2015-08-27 US disclosed
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-METERS SQUIBB COMPANY (US) 2015-08-27 US disclosed
WO-2014047374-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 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 (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-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 MAPT 4661/4885GAA 4151/4885HPGD 2011/4885

“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.