SCHEMBL198053

SCHEMBL198053

N#Cc1cc(F)c(OCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3ccccc32)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 11/20 0.56
NR1H4 Q96RI1 9/20 0.47

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
SCHEMBL197205 0.91 NR1H4 (0.52) PDE6DNR1H4
SCHEMBL198351 0.91 PDE6D (0.57) PDE6DNR1H4
SCHEMBL197469 0.86 PDE6D (0.55) PDE6DNR1H4
SCHEMBL198824 0.84 NR1H4 (0.51) NR1H4
SCHEMBL198205 0.84 NR1H4 (0.53) PDE6DNR1H4
SCHEMBL200042 0.84 PDE6D (0.51) PDE6DNR1H4
SCHEMBL198045 0.83 NR1H4 (0.49) NR1H4
SCHEMBL198578 0.82 PDE6D (0.53) PDE6DNR1H4
SCHEMBL198491 0.81 NR1H4 (0.53) NR1H4
SCHEMBL197437 0.80 NR1H4 (0.51) PDE6DNR1H4

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
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
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 292/4885

“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.