SCHEMBL2654959

SCHEMBL2654959

CC(=O)Nc1ccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NTRK1 P04629 1/20 0.42
FLT3 P36888 1/20 0.42
ADRA2B P18089 1/20 0.41
ATM Q13315 5/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
OGT O15294 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL2654186 0.90 NPC1 (0.52) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL2662035 0.87 NPC1 (0.45) NPC1RAB9AMAPTADRA2BLMNA
SCHEMBL2662770 0.85 NPC1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2ADRA2B
SCHEMBL2654894 0.83 FGFR1 (0.44) MAPTKDM4EALDH1A1HPGD
SCHEMBL2654102 0.82 FGFR1 (0.47) MEN1KMT2A
SCHEMBL2654098 0.81 FGFR1 (0.42) FLT3EGLN2
SCHEMBL2654014 0.80 KDR (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2654084 0.79 CYP19A1 (0.43) RAB9AMAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2655939 0.78 ALDH1A1 (0.51) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2654072 0.78 MAPT (0.40) MAPTALDH1A1

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 1930/4885MAPT 1065/4885

“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.