SCHEMBL2654073

SCHEMBL2654073

CC(=O)Nc1cccc(-c2cc(CO)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
FYN P06241 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 2/20 0.43
STAT1 P42224 1/20 0.43
TSHR P16473 1/20 0.42
NQO2 P16083 2/20 0.42
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
AKT3 Q9Y243 2/20 0.41
ADRA2B P18089 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 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
SCHEMBL2654397 0.86 FGFR1 (0.41) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2653352 0.84 NPC1 (0.53) NPC1RAB9AFYNSMN1; SMN2LMNA
SCHEMBL2654186 0.83 NPC1 (0.52) NPC1RAB9AFYNSMN1; SMN2LMNA
SCHEMBL2654157 0.82 RAB9A (0.48) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2660757 0.82 NPC1 (0.50) NPC1RAB9AFYNSMN1; SMN2LMNA
SCHEMBL2653969 0.80 FGFR1 (0.44)
SCHEMBL2662770 0.79 NPC1 (0.47) NPC1RAB9AFYNSMN1; SMN2LMNA
SCHEMBL2662035 0.79 NPC1 (0.45) NPC1RAB9AFYNLMNAADRA2B
SCHEMBL2654959 0.75 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL2656928 0.75 PDE10A (0.41)

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 1930/4885FYN 4301/4885

“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.