SCHEMBL2654830

SCHEMBL2654830

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
FGFR1 P11362 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
JMJD6 Q6NYC1 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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 0.91 SIRT2 (0.43) GABRA2GABRB2NPC1RAB9ASMN1; SMN2
SCHEMBL2653769 0.89 SIRT2 (0.41) GABRA2GABRB2NPC1RAB9ASMN1; SMN2
SCHEMBL2654008 0.87 ALDH1A1 (0.46) GABRA2GABRB2NPC1RAB9ASMN1; SMN2
SCHEMBL2654603 0.85 PRMT1 (0.42) SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL2655775 0.84 ALDH1A1 (0.45) RAB9ASMN1; SMN2ALDH1A1MAPTJMJD6
SCHEMBL2654172 0.83 SCN9A (0.45) GABRA2GABRB2NPC1RAB9AFGFR1
SCHEMBL2654157 0.83 RAB9A (0.48) NPC1RAB9ASMN1; SMN2FGFR1ALDH1A1
SCHEMBL2660545 0.81 ALDH1A1 (0.42) RAB9ASMN1; SMN2ALDH1A1MAPTJMJD6
SCHEMBL2654091 0.78 FGFR1 (0.48) GABRA2GABRB2NPC1RAB9AFGFR1
SCHEMBL2655287 0.76 GRIN1 (0.40) NPC1RAB9ASMN1; SMN2FGFR1MAPT

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 4 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 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 GABRA2 7/4885GABRB2 3/4885NPC1 726/4885

“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.