SCHEMBL3571970

SCHEMBL3571970

COc1ccc2nc(-c3ccc(Cl)c(Cl)c3)n(C(C(=O)NC3CCCCC3)C3CCCC3)c2c1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.84
KCNH2 Q12809 4/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59

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
SCHEMBL29880757 1.00 NR1H4 (0.84) NR1H4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3575445 1.00 NR1H4 (0.84) NR1H4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL29881439 1.00 NR1H4 (0.84) NR1H4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3562531 1.00 NR1H4 (0.84) NR1H4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3562242 0.99 NR1H4 (0.82) NR1H4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL29880641 0.99 NR1H4 (0.82) NR1H4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3568883 0.99 NR1H4 (0.82) NR1H4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL29880683 0.99 NR1H4 (0.82) NR1H4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3562115 0.93 NR1H4 (0.81) NR1H4KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3571268 0.93 NR1H4 (0.81) NR1H4KCNH2CYP3A4CYP2D6CYP2C9

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-7645785-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US claimed
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US claimed
US-7645785-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 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-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R NR1H4 1/4885KCNH2 3647/4885CYP3A4 291/4885

“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.