SCHEMBL7932606

SCHEMBL7932606

CN(C)C(=O)c1cn2cccc(Br)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BCHE P06276 1/20 0.35
DHODH Q02127 1/20 0.35
HTT P42858 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
PABPC1 P11940 1/20 0.34
CASP1 P29466 1/20 0.34
GFER P55789 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
BRD4 O60885 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
SCHEMBL12306368 0.86 KDM4E (0.35) PTGS1PTGS2RXFP1BCHEDHODH
SCHEMBL3305733 0.81 PTGS1 (0.56) PTGS1PTGS2RXFP1DHODHHTT
SCHEMBL12306367 0.80 PTGS1 (0.39) PTGS1PTGS2RXFP1DHODHHTT
SCHEMBL18340813 0.80 GRM2 (0.39) PTGS1PTGS2RXFP1DHODHHTT
SCHEMBL31683736 0.78 L3MBTL1 (0.34) PTGS1PTGS2RXFP1DHODHHTT
SCHEMBL117700 0.75 KDM4E (0.58) RXFP1KDM4EALDH1A1HPGDGAA
SCHEMBL26920769 0.72 MALT1 (0.33) ALDH1A1BRD4
SCHEMBL12970286 0.70 NPC1 (0.42) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL969923 0.69 LMNA (0.35) RXFP1HTTSMN1; SMN2BRD4NPC1
SCHEMBL19288440 0.68 APP (0.51) PTGS1PTGS2KDM4EALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546440-B2 Substituted bicyclic imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2013-10-01 US disclosed
US-8546440-B2 Substituted bicyclic imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2013-10-01 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 US disclosed
WO-2010070008-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-06-24 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-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PTGS1 623/4885PTGS2 1440/4885RXFP1 3847/4885

“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.