SCHEMBL1761950

SCHEMBL1761950

NC(=NO)c1ccc2c(c1)ncn2-c1cccc(-c2cnc(N3CCOCC3)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
AOC3 Q16853 8/20 0.44
KDR P35968 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
FGFR1 P11362 3/20 0.41
RAB9A P51151 1/20 0.40
SRC P12931 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL1761664 0.89 HPGD (0.48) HPGDAOC3GABRA1GABRG2GABRB3
SCHEMBL1761971 0.89 FGFR1 (0.55) HPGDAOC3KDRFGFR1RAB9A
SCHEMBL1761944 0.84 HPGD (0.48) HPGDAOC3KDRGABRA1GABRG2
SCHEMBL1761686 0.81 HPGD (0.59) HPGDRAB9AALDH1A1
SCHEMBL1761682 0.81 HPGD (0.45) HPGDKDRGABRA1GABRG2GABRB3
SCHEMBL1762101 0.80 GABRA1 (0.55) HPGDAOC3KDRGABRA1GABRG2
SCHEMBL1761560 0.80 HPGD (0.45) HPGDAOC3KDRFGFR1SRC
SCHEMBL1761744 0.80 HPGD (0.45) HPGDAOC3KDRFGFR1SRC
SCHEMBL1761724 0.79 KDR (0.45) HPGDKDRGABRA1GABRG2GABRB3
SCHEMBL1761932 0.76 FGFR1 (0.49) 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 5 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

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 1966/4885AOC3 1046/4885KDR 3804/4885
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 HPGD 1966/4885AOC3 1046/4885KDR 3804/4885

“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.