SCHEMBL2652210

SCHEMBL2652210

CC(OCc1ncc[nH]1)c1cccc(-n2cnc3cc(CN4CCCC4)ccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.42
KDR P35968 4/20 0.36
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
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 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
SCHEMBL2977952 0.87 HPGD (0.37) HPGDKDRSMN1; SMN2FGFR1GABRP
SCHEMBL2653928 0.87 GABRP (0.40) HPGDSMN1; SMN2FGFR1GABRPGABRD
SCHEMBL2974099 0.87 HPGD (0.39) HPGDSMN1; SMN2FGFR1GABRPGABRD
SCHEMBL2963434 0.85 SIGMAR1 (0.38) HPGDKDRALDH1A1NPC1GLA
SCHEMBL2978344 0.82 HPGD (0.39) HPGDNPC1RAB9ASMN1; SMN2FGFR1
SCHEMBL2653523 0.81 FGFR1 (0.43) HPGDALDH1A1SMN1; SMN2FGFR1GABRP
SCHEMBL2652698 0.80 HPGD (0.38) HPGDSMN1; SMN2FGFR1GABRPGABRD
SCHEMBL2652428 0.78 HPGD (0.45) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2966412 0.74 HPGD (0.42) HPGDKDRALDH1A1NPC1GLA
SCHEMBL2963431 0.73 HPGD (0.41) HPGDKDRALDH1A1NPC1GLA

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
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
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 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-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 HPGD 1855/4885KDR 4113/4885ALDH1A1 600/4885

“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.