SCHEMBL2963431

SCHEMBL2963431

COC(c1cccc(-n2cnc3cc(CN4CCCC4)ccc32)c1)c1nccn1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.41
KDR P35968 7/20 0.39
DRD4 P21917 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FGFR1 P11362 3/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL2974090 0.87 HPGD (0.38) HPGDKDRSMN1; SMN2FGFR1SRC
SCHEMBL2976802 0.87 GABRP (0.39) HPGDKDRSMN1; SMN2FGFR1
SCHEMBL2966412 0.84 HPGD (0.42) HPGDKDRALDH1A1NPC1GLA
SCHEMBL2652694 0.77 HPGD (0.37) HPGDKDRSMN1; SMN2FGFR1
SCHEMBL2652208 0.77 SIGMAR1 (0.43) HPGDKDRDRD4SIGMAR1ALDH1A1
SCHEMBL2964598 0.77 FGFR1 (0.48) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2652210 0.73 HPGD (0.42) HPGDKDRDRD4SIGMAR1ALDH1A1
SCHEMBL2976787 0.72 HPGD (0.38) HPGDKDRSMN1; SMN2FGFR1SRC
SCHEMBL2967387 0.72 GABRP (0.37) HPGDKDRALDH1A1SMN1; SMN2FGFR1
SCHEMBL2651808 0.70 FGFR1 (0.40) HPGDKDRFGFR1SRC

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 4113/4885DRD4 730/4885

“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.