SCHEMBL2977762

SCHEMBL2977762

COC(c1cccc(N)c1)c1nccn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
FGB P02675 1/20 0.38
TNNI3 P19429 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
TNNT2 P45379 1/20 0.38
CASP7 P55210 1/20 0.38
TNNC1 P63316 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2977112 0.84 MAPT (0.45) KDM4EL3MBTL1MAPTKMT2AMEN1
SCHEMBL29065895 0.82 KDM4E (0.61) KDM4EL3MBTL1MAPTALOX15HSD17B10
Hydrochloric Acid SCHEMBL29065893 0.81 KDM4E (0.59) KDM4EL3MBTL1MAPTALOX15HSD17B10
SCHEMBL25706790 0.74 KDM4E (0.45) KDM4EL3MBTL1MAPTALOX15HSD17B10
SCHEMBL25706791 0.74 KDM4E (0.45) KDM4EL3MBTL1MAPTALOX15HSD17B10
SCHEMBL2976802 0.71 GABRP (0.39) MAPK1
SCHEMBL29866768 0.69 CBLB (0.51) KDM4EKMT2AMEN1TSHROPRK1
SCHEMBL21200668 0.69 CBLB (0.51) KDM4EKMT2AMEN1TSHROPRK1
SCHEMBL6651894 0.67 KDM4E (0.71) KDM4EL3MBTL1MAPTALOX15HSD17B10
SCHEMBL21851741 0.67 KRAS (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 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 (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-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 KDM4E 2295/4885L3MBTL1 3525/4885MAPT 2156/4885

“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.