SCHEMBL1482783

SCHEMBL1482783

O=C(Nc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1CC1CCCCC1)c1ccc(-c2nnn[nH]2)cc1F

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 17/20 0.78
CYP2C9 P11712 7/20 0.41
CYP3A4 P08684 6/20 0.41
CYP2D6 P10635 6/20 0.41
ALOX5 P09917 2/20 0.39
KCNH2 Q12809 4/20 0.38
PTGER4 P35408 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
SCHEMBL1482549 0.87 NR1H4 (0.65) NR1H4CYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1484119 0.85 NR1H4 (0.57) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL12717886 0.84 NR1H4 (0.55) NR1H4CYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1482788 0.80 NR1H4 (0.50) NR1H4CYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1482952 0.79 NR1H4 (0.51) NR1H4CYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1482521 0.79 NR1H4 (0.49) NR1H4CYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1482540 0.78 NR1H4 (0.50) NR1H4CYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1482630 0.78 NR1H4 (0.49) NR1H4CYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1482570 0.77 NR1H4 (0.48) NR1H4CYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1482736 0.76 NR1H4 (0.46) NR1H4CYP2C9CYP3A4CYP2D6ALOX5

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 13 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-20220016136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS VIKING THERAPEUTICS, INC. 2022-01-20 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
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 (2 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-20220016136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS FABP1, SLC10A1, TSHR NR1H4 11/4885CYP2C9 2733/4885CYP3A4 1746/4885
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 NR1H4 776/4885CYP2C9 62/4885CYP3A4 2/4885

“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.