SCHEMBL3446352

SCHEMBL3446352

COc1ccc(-c2nc3cc(F)c(F)cc3n2C(C(=O)Nc2ccc(-c3nnn[nH]3)cc2F)C2CCCCC2)c(OC)n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.63
CYP2C9 P11712 7/20 0.55
CYP3A4 P08684 5/20 0.55
CYP2D6 P10635 5/20 0.55
KCNH2 Q12809 3/20 0.51

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
SCHEMBL3445376 0.94 NR1H4 (0.59) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL3445991 0.85 NR1H4 (0.72) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL3446198 0.84 NR1H4 (0.76) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL3444732 0.83 NR1H4 (0.68) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL3444844 0.83 NR1H4 (0.67) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL3446391 0.83 NR1H4 (0.68) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL3446112 0.83 NR1H4 (0.70) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL197788 0.80 NR1H4 (0.75) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL198002 0.80 NR1H4 (0.50) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL3446878 0.80 NR1H4 (0.74) NR1H4CYP2C9CYP3A4CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816540-B2 Carboxyl- or hydroxyl-substituted benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-10-19 US claimed
EP-2225221-A2 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-08 EP claimed
WO-2009080555-A2 CARBOXYL- OR HYDROXYL- SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO claimed
US-20090163552-A1 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-06-25 US claimed
US-7816540-B2 Carboxyl- or hydroxyl-substituted benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-10-19 US disclosed
EP-2225221-A2 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-08 EP disclosed
WO-2009080555-A2 CARBOXYL- OR HYDROXYL- SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
US-20090163552-A1 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-06-25 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-20090163552-A1 CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NR1H4, GPBAR1, SLC10A1 NR1H4 1/4885CYP2C9 79/4885CYP3A4 14/4885

“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.