SCHEMBL2653769

SCHEMBL2653769

CCOC(=O)c1cc(-c2cccc(CN(C)C)c2)c2c(c1)ncn2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
HTR7 P34969 1/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FGFR1 P11362 2/20 0.39
SLC2A1 P11166 2/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CD O00329 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2654272 0.90 SIRT2 (0.43) SIRT2SIRT1GABRA2GABRB2NPC1
SCHEMBL2654830 0.89 GABRA2 (0.41) SIRT2SIRT1GABRA2GABRB2NPC1
SCHEMBL2654603 0.85 PRMT1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2654008 0.85 ALDH1A1 (0.46) SIRT2SIRT1GABRA2GABRB2NPC1
SCHEMBL2655775 0.83 ALDH1A1 (0.45) RAB9AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2654157 0.82 RAB9A (0.48) NPC1RAB9AFGFR1ALDH1A1LMNA
SCHEMBL2654172 0.82 SCN9A (0.45) SIRT2SIRT1GABRA2GABRB2NPC1
SCHEMBL2660545 0.81 ALDH1A1 (0.42) RAB9AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2653658 0.78 HTR7 (0.43) HTR7FGFR1SRCPIK3CD
SCHEMBL2654091 0.76 FGFR1 (0.48) SIRT2SIRT1GABRA2GABRB2NPC1

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 SIRT2 3474/4885SIRT1 2999/4885HTR7 199/4885

“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.