SCHEMBL2966412

SCHEMBL2966412

COC(c1cccc(-n2cnc3cc(CN4CCCC4)ccc32)c1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
KDR P35968 6/20 0.40
FGFR1 P11362 3/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2653977 0.86 FGFR1 (0.41) HPGDKDRFGFR1ALDH1A1NPC1
SCHEMBL2653867 0.86 FGFR1 (0.41) HPGDKDRFGFR1ALDH1A1NPC1
SCHEMBL2963431 0.84 HPGD (0.41) HPGDKDRFGFR1ALDH1A1NPC1
SCHEMBL2651746 0.77 FGFR1 (0.39) HPGDKDRFGFR1GAAMAPT
SCHEMBL2966478 0.76 FGFR1 (0.52) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2966414 0.75 GAA (0.42) HPGDKDRFGFR1ALDH1A1NPC1
SCHEMBL2652951 0.75 HPGD (0.38) HPGDKDRFGFR1ALDH1A1RAB9A
SCHEMBL2652210 0.74 HPGD (0.42) HPGDKDRFGFR1ALDH1A1NPC1
SCHEMBL2655122 0.71 GABRA1 (0.44) HPGDKDRFGFR1KITFLT3
SCHEMBL2963434 0.70 SIGMAR1 (0.38) HPGDKDRFGFR1ALDH1A1NPC1

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 4 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 claimed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US claimed
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 HPGD 1855/4885KDR 4113/4885FGFR1 4324/4885

“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.