SCHEMBL1482483

SCHEMBL1482483

COc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1CCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.42
CRHR1 P34998 5/20 0.42
ALOX5 P09917 2/20 0.40
KCNH2 Q12809 3/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37
MCHR1 Q99705 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL1482662 0.90 NR1H4 (0.51) NR1H4CRHR1ALOX5KCNH2CYP3A4
SCHEMBL1482722 0.89 NR1H4 (0.49) NR1H4CRHR1ALOX5KCNH2CYP3A4
SCHEMBL1482199 0.86 NR1H4 (0.46) NR1H4ALOX5KCNH2CYP3A4CYP2D6
SCHEMBL1577411 0.86 CRHR1 (0.42) CRHR1ALOX5MCHR1PI4KB
SCHEMBL1482716 0.83 CRHR1 (0.39) CRHR1CYP11B2
SCHEMBL1482738 0.81 HTR2C (0.42) NR1H4CRHR1ALOX5CYP3A4CYP2D6
SCHEMBL1482411 0.81 TP53 (0.46) CRHR1CYP11B2
SCHEMBL1482694 0.81 NR1H4 (0.37) NR1H4
SCHEMBL1482505 0.81 ALOX5 (0.44) NR1H4CRHR1ALOX5CYP3A4CYP2C9
SCHEMBL1482100 0.80 NR1H4 (0.50) NR1H4ALOX5KCNH2CYP3A4CYP2D6

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 NR1H4 776/4885CRHR1 3177/4885ALOX5 3919/4885

“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.