SCHEMBL3445897

SCHEMBL3445897

COc1ccc(-c2nc3cc(F)ccc3n2C(C(=O)O)C2CCCCC2)c(OC)n1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.64
KCNH2 Q12809 6/20 0.39
CYP3A4 P08684 6/20 0.39
CYP2C9 P11712 6/20 0.39
CYP2D6 P10635 5/20 0.39

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
SCHEMBL197587 0.90 NR1H4 (0.77) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL3447047 0.87 NR1H4 (0.62) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL3445995 0.87 NR1H4 (0.84) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL3445131 0.87 NR1H4 (0.84) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL3445428 0.82 NR1H4 (0.70) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL197788 0.82 NR1H4 (0.75) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL197955 0.78 NR1H4 (0.73) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL3444638 0.78 NR1H4 (1.00) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL3444641 0.78 NR1H4 (1.00) NR1H4KCNH2CYP3A4CYP2C9CYP2D6
SCHEMBL3445450 0.77 NR1H4 (0.85) 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 2 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 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 1/4885KCNH2 3131/4885CYP3A4 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.