SCHEMBL1483031

SCHEMBL1483031

Fc1cc2nc(-c3cccnc3OCC3CCCC3)n(CC3CCCCC3)c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
NR1H4 Q96RI1 2/20 0.40
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 2/20 0.39
GHSR Q92847 4/20 0.38
ALOX5 P09917 2/20 0.37
VDR P11473 1/20 0.36
CARM1 Q86X55 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1482405 0.99 ALOX5AP (0.42) FFAR4ALOX5APFEN1CNR1ACHE
SCHEMBL1482613 0.87 KDM4E (0.45) FFAR4ALOX5APFEN1ACHECNR2
SCHEMBL1482617 0.85 HTR2A (0.42) CNR2NR1H4GHSRALOX5VDR
SCHEMBL1482674 0.85 GHSR (0.42) CNR2NR1H4GHSRVDRCARM1
SCHEMBL1482687 0.85 KDM4E (0.52) CNR2NR1H4CYP11B2CYP11B1GHSR
SCHEMBL1482027 0.85 NR1H4 (0.43) CNR2NR1H4CYP11B2CYP11B1GHSR
SCHEMBL1482931 0.84 KMT2A (0.41) FFAR4ALOX5APFEN1NR1H4MEN1
SCHEMBL1483022 0.83 NR1H4 (0.45) CNR1CNR2NR1H4VDR
SCHEMBL1482517 0.83 KDM4E (0.47) FFAR4ALOX5APFEN1ACHECYP11B2
SCHEMBL1577077 0.82 CNR1 (0.39) FFAR4ALOX5APFEN1CNR1ACHE

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP claimed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO claimed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US claimed
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
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
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
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US 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 FFAR4 1845/4885ALOX5AP 4042/4885FEN1 4323/4885

“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.