SCHEMBL1761744

SCHEMBL1761744

C[C@@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2cnc(N3CCOCC3)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
KDR P35968 1/20 0.44
AOC3 Q16853 10/20 0.42
FGFR1 P11362 4/20 0.41
SRC P12931 3/20 0.41
PIK3CB P42338 1/20 0.40
OGA O60502 1/20 0.38

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
SCHEMBL1761560 1.00 HPGD (0.45) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL1761947 0.90 HPGD (0.44) HPGDKDRAOC3FGFR1OGA
SCHEMBL1762030 0.90 HPGD (0.44) HPGDKDRAOC3FGFR1OGA
SCHEMBL1762101 0.83 GABRA1 (0.55) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL1761971 0.81 FGFR1 (0.55) HPGDKDRAOC3FGFR1
SCHEMBL1761724 0.81 KDR (0.45) HPGDKDRFGFR1SRCPIK3CB
SCHEMBL1761913 0.80 FGFR1 (0.44) HPGDKDRFGFR1SRC
SCHEMBL1762034 0.80 FGFR1 (0.44) HPGDKDRFGFR1SRC
SCHEMBL1762127 0.80 HPGD (0.57) HPGDKDRFGFR1
SCHEMBL1762014 0.80 HPGD (0.57) HPGDKDRFGFR1

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 1966/4885PSEN1 2313/4885PSEN2 2020/4885
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 HPGD 1966/4885PSEN1 2313/4885PSEN2 2020/4885

“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.