SCHEMBL1616482

SCHEMBL1616482

CC(=O)N[C@H](C)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2NS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
ATM Q13315 6/20 0.40
FGFR1 P11362 4/20 0.39
TRPV1 Q8NER1 1/20 0.39
HPGD P15428 2/20 0.38
MCL1 Q07820 1/20 0.38
PHGDH O43175 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 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
SCHEMBL1615895 1.00 NPC1 (0.42) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL4539379 1.00 NPC1 (0.42) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL1761914 0.88 GABRA1 (0.44) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL1762204 0.88 GABRA1 (0.44) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL1617313 0.87 GABRA1 (0.42) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL1616031 0.86 NPC1 (0.46) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL1617011 0.86 NPC1 (0.46) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL1616776 0.84 NPC1 (0.53) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL1616093 0.84 NPC1 (0.53) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL1617120 0.84 NPC1 (0.53) NPC1RAB9AGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996556-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-11-18 EP claimed
EP-1996556-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NeuroSearch A/S (DK) 2008-12-03 EP claimed
WO-2007065864-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-06-14 WO claimed
US-7923464-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-04-12 US disclosed
EP-1996556-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-11-18 EP disclosed
US-20090048321-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA-Alpha Receptor Complex ANIONA APS (DK) 2009-02-19 US disclosed
EP-1996556-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NeuroSearch A/S (DK) 2008-12-03 EP disclosed
WO-2007065864-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-06-14 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-20090048321-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA-Alpha Receptor Complex GABRB1, GABRB2, GABRB3 NPC1 1879/4885RAB9A 2463/4885GABRA1 6/4885

“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.