SCHEMBL1482732

SCHEMBL1482732

N#Cc1ccc(CCc2ccccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.42
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
PTGER4 P35408 1/20 0.36
KCNH2 Q12809 4/20 0.36
GHSR Q92847 3/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ALOX5 P09917 1/20 0.34
ITK Q08881 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL1482886 0.89 NR1H4 (0.46) CNR2NR1H4MEN1KMT2ACYP11B1
SCHEMBL1482351 0.88 KCNH2 (0.44) CNR2NR1H4KCNH2NPSR1
SCHEMBL1484048 0.85 PTGER4 (0.45) NR1H4PTGER4
SCHEMBL1482478 0.84 CNR2 (0.40) CNR2NR1H4MEN1KMT2ACYP11B1
SCHEMBL1481990 0.83 HTR2A (0.37) CNR2NR1H4CYP11B1CYP11B2NPSR1
SCHEMBL1484203 0.81 NR1H4 (0.43) NR1H4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL1482352 0.80 ALOX5 (0.43) CNR2KCNH2NPSR1ALOX5
SCHEMBL1483027 0.79 PDE10A (0.39) NR1H4KCNH2
SCHEMBL1482750 0.79 KCNH2 (0.41) MEN1KMT2AKCNH2GHSR
SCHEMBL1482661 0.79 NR1H4 (0.44) CNR2NR1H4CYP11B1CYP11B2KCNH2

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 CNR2 1192/4885NR1H4 776/4885MEN1 2360/4885

“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.