SCHEMBL2653352

SCHEMBL2653352

CC(=O)Nc1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
KDR P35968 1/20 0.46
FYN P06241 3/20 0.45
LMNA P02545 3/20 0.45
NQO2 P16083 2/20 0.45
IDH2 P48735 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SYK P43405 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 1/20 0.43
STAT1 P42224 1/20 0.43
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.41
RIPK1 Q13546 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 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
SCHEMBL2654005 0.87 FGFR1 (0.50) NPC1RAB9AAURKAAURKBKDR
SCHEMBL2653865 0.86 FGFR1 (0.41) NPC1RAB9AAURKAAURKBKDR
SCHEMBL2654073 0.84 NPC1 (0.53) NPC1RAB9AFYNLMNANQO2
SCHEMBL2654447 0.84 FGFR1 (0.41) NPC1RAB9AAURKAAURKBKDR
SCHEMBL2654186 0.83 NPC1 (0.52) NPC1RAB9AFYNLMNANQO2
SCHEMBL2660757 0.82 NPC1 (0.50) NPC1RAB9AFYNLMNANQO2
SCHEMBL2653906 0.81 MET (0.48) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2655569 0.81 MET (0.39) NPC1RAB9AAURKAAURKBKDR
SCHEMBL2654916 0.80 GABRA1 (0.49) NPC1RAB9AAURKAAURKBKDR
SCHEMBL2654157 0.80 RAB9A (0.48) NPC1RAB9ALMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US claimed
JP-2007509108-A 2007-04-12 JP claimed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US claimed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP claimed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 WO claimed
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US disclosed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 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-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 NPC1 726/4885RAB9A 1930/4885AURKA 4037/4885

“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.