SCHEMBL2347144

SCHEMBL2347144

CO[C@@H](c1ccccc1)c1nc2cc(F)c(F)cc2n1[C@@H](C(=O)NC1CCCC1)C1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 19/20 0.73
KCNH2 Q12809 5/20 0.58
CYP3A4 P08684 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP2D6 P10635 3/20 0.58
TSHR P16473 1/20 0.45

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
SCHEMBL2349309 1.00 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL2346163 1.00 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL2347146 1.00 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL2349304 1.00 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL2347888 1.00 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL2346157 1.00 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL2343538 1.00 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL2346151 1.00 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL2351414 1.00 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL2343535 1.00 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222645-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-20 EP claimed
US-7825258-B2 Methyl-benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US claimed
EP-2222645-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2010-09-01 EP claimed
WO-2009062874-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-22 WO claimed
US-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-05-21 US claimed
EP-2222645-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-20 EP disclosed
US-8008503-B2 Methyl-benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
US-20100331371-A1 METHYL-BENZIMIDAZOLE DERIVATIVES BENSON GREGORY MARTIN 2010-12-30 US disclosed
US-7825258-B2 Methyl-benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
US-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-05-21 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-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HDAC10, CYP3A4, ECI1 NR1H4 217/4885KCNH2 652/4885CYP3A4 2/4885
US-20100331371-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HDAC10, CYP3A4, ECI1 NR1H4 217/4885KCNH2 652/4885CYP3A4 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.