SCHEMBL1762235

SCHEMBL1762235

CC(C)(O)c1ccc2c(c1)ncn2-c1cccc(-c2cncc(C(=O)N3CCOCC3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 17/20 0.57
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSA P10619 1/20 0.45

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
SCHEMBL1762014 0.85 HPGD (0.57) HPGDRAB9AALDH1A1NPC1GLA
SCHEMBL1762127 0.85 HPGD (0.57) HPGDRAB9AALDH1A1NPC1GLA
SCHEMBL1762149 0.84 HPGD (0.56) HPGDRAB9AALDH1A1NPC1GLA
SCHEMBL1761684 0.83 HPGD (0.59) HPGDRAB9AALDH1A1NPC1GLA
SCHEMBL1761686 0.83 HPGD (0.59) HPGDRAB9AALDH1A1NPC1GLA
SCHEMBL1762101 0.80 GABRA1 (0.55) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL1761832 0.73 GABRA1 (0.61) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL7449598 0.73 HPGD (0.84) HPGDRAB9AALDH1A1NPC1GLA
SCHEMBL23680612 0.72 HPGD (0.82) HPGDRAB9AALDH1A1NPC1GLA
SCHEMBL1761908 0.72 GABRA1 (0.55) HPGDGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288418-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2012-10-16 US disclosed
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US disclosed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 EP disclosed
US-7902230-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-03-08 US disclosed
US-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2009-02-05 US disclosed
EP-2001855-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-12-17 EP disclosed
WO-2007110374-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-10-04 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 (2 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-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 HPGD 1966/4885GABRA1 6/4885GABRG2 16/4885
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 HPGD 1966/4885GABRA1 6/4885GABRG2 16/4885

“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.