SCHEMBL1616093

SCHEMBL1616093

CC(=O)N[C@@H](C)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
FGFR1 P11362 10/20 0.50
KDR P35968 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ACACB O00763 3/20 0.45
ACACA Q13085 3/20 0.45
HPGD P15428 1/20 0.44
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

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
SCHEMBL1616776 1.00 NPC1 (0.53) NPC1RAB9AFGFR1KDRSMN1; SMN2
SCHEMBL1617120 1.00 NPC1 (0.53) NPC1RAB9AFGFR1KDRSMN1; SMN2
SCHEMBL1617011 0.89 NPC1 (0.46) NPC1RAB9AFGFR1SMN1; SMN2LMNA
SCHEMBL1616031 0.89 NPC1 (0.46) NPC1RAB9AFGFR1SMN1; SMN2LMNA
SCHEMBL13002375 0.87 HPGD (0.54) NPC1RAB9AFGFR1SMN1; SMN2HPGD
SCHEMBL1616567 0.86 ADRA2B (0.48) NPC1RAB9AFGFR1KDRSMN1; SMN2
SCHEMBL1615890 0.86 ADRA2B (0.48) NPC1RAB9AFGFR1KDRSMN1; SMN2
SCHEMBL1616138 0.86 NPC1 (0.48) NPC1RAB9AFGFR1SMN1; SMN2LMNA
SCHEMBL1617241 0.86 GABRA1 (0.61) NPC1RAB9AFGFR1SMN1; SMN2LMNA
SCHEMBL4540378 0.86 GABRA1 (0.61) NPC1RAB9AFGFR1SMN1; SMN2LMNA

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 2463/4885FGFR1 3792/4885

“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.