SCHEMBL1482674

SCHEMBL1482674

COc1ccc(COc2ncccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.42
ROCK2 O75116 3/20 0.41
CNR2 P34972 4/20 0.39
ABHD6 Q9BV23 1/20 0.39
KCNH2 Q12809 4/20 0.39
NR1H4 Q96RI1 2/20 0.38
VDR P11473 1/20 0.38
CARM1 Q86X55 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL1482631 0.89 ROCK2 (0.42) GHSRROCK2CNR2ABHD6NR1H4
SCHEMBL1484287 0.88 FFAR4 (0.42) ROCK2CNR2NR1H4VDR
SCHEMBL1482634 0.88 NR1H4 (0.42) GHSRROCK2CNR2NR1H4VDR
SCHEMBL1483022 0.87 NR1H4 (0.45) ROCK2CNR2NR1H4VDR
SCHEMBL1483031 0.85 FFAR4 (0.41) GHSRCNR2NR1H4VDRCARM1
SCHEMBL1482405 0.84 ALOX5AP (0.42) GHSRCNR2NR1H4VDRCARM1
SCHEMBL1482791 0.83 HTT (0.47) CNR2
SCHEMBL1482617 0.82 HTR2A (0.42) GHSRCNR2NR1H4VDRHTR2C
SCHEMBL1482654 0.80 DCTPP1 (0.42) CNR2KMT2A
SCHEMBL1482687 0.78 KDM4E (0.52) GHSRCNR2NR1H4VDRMEN1

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-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP disclosed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 GHSR 2506/4885ROCK2 2608/4885CNR2 1192/4885

“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.