SCHEMBL2654091

SCHEMBL2654091

CCOC(=O)c1cc(I)c2c(c1)ncn2-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.48
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL30343744 0.80 FGFR1 (0.75) FGFR1SIRT2SIRT1ALDH1A1NPC1
SCHEMBL25999063 0.80 FGFR1 (0.67) FGFR1SIRT2SIRT1ALDH1A1NPC1
SCHEMBL2654008 0.79 ALDH1A1 (0.46) FGFR1SIRT2SIRT1ALDH1A1MAPT
SCHEMBL2654272 0.78 SIRT2 (0.43) FGFR1SIRT2SIRT1GAAALDH1A1
SCHEMBL2654830 0.78 GABRA2 (0.41) FGFR1SIRT2SIRT1ALDH1A1MAPT
SCHEMBL2654172 0.76 SCN9A (0.45) FGFR1SIRT2SIRT1ALDH1A1GABRA2
SCHEMBL2654157 0.76 RAB9A (0.48) FGFR1ALDH1A1MAPTKMT2ANPC1
SCHEMBL2653769 0.76 SIRT2 (0.41) FGFR1SIRT2SIRT1ALDH1A1MAPT
SCHEMBL2654803 0.76 FGFR1 (0.56) FGFR1ALDH1A1HPGD
SCHEMBL9261352 0.74 FGFR1 (0.74) FGFR1GAAMAPTNPC1RAB9A

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 FGFR1 2259/4885SIRT2 3474/4885SIRT1 2999/4885

“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.