SCHEMBL200042

SCHEMBL200042

Fc1cc(-c2nnn[nH]2)cc(F)c1OCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 9/20 0.51
NR1H4 Q96RI1 11/20 0.45
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL197272 0.91 PDE6D (0.52) PDE6DNR1H4
SCHEMBL198027 0.91 NR1H4 (0.49) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL197489 0.85 NR1H4 (0.48) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL197277 0.84 NR1H4 (0.47) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL198053 0.84 PDE6D (0.56) PDE6DNR1H4
SCHEMBL197469 0.83 PDE6D (0.55) PDE6DNR1H4CYP3A4CYP2D6CYP2C9
SCHEMBL197759 0.83 NR1H4 (0.51) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL197309 0.83 NR1H4 (0.51) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL14796999 0.82 NR1H4 (0.47) PDE6DNR1H4CYP3A4CYP2D6CYP2C9
SCHEMBL198205 0.81 NR1H4 (0.53) PDE6DNR1H4CYP3A4CYP2D6CYP2C9

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-2321282-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-03-27 EP claimed
US-8088930-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US claimed
EP-2321282-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP claimed
WO-2010028981-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-18 WO claimed
US-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 US claimed
EP-2321282-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-03-27 EP disclosed
US-8088930-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US disclosed
EP-2321282-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010028981-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-18 WO disclosed
US-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 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-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES CYP3A7, ECI1, CYP2B6 PDE6D 504/4885NR1H4 292/4885CYP3A4 4/4885

“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.