SCHEMBL1761899

SCHEMBL1761899

C[C@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2ccncc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 1/20 0.43
FGFR1 P11362 7/20 0.39
CTSA P10619 2/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
HPGD P15428 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PRKCI P41743 2/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL1761915 1.00 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2659327 0.90 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761860 0.88 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761775 0.88 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761916 0.85 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762071 0.85 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761717 0.84 FGFR1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762243 0.84 FGFR1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762013 0.84 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762188 0.84 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US claimed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 EP claimed
US-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2009-02-05 US claimed
EP-2001855-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-12-17 EP claimed
WO-2007110374-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-10-04 WO claimed
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 GABRA1 6/4885GABRG2 16/4885GABRB3 3/4885
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 GABRA1 6/4885GABRG2 16/4885GABRB3 3/4885

“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.