SCHEMBL981741

SCHEMBL981741

Cc1nc(I)c(C)n1-c1cc(=O)[nH]cn1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.31
PARP1 P09874 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL980908 0.73 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL983117 0.73 PDE3B (0.35) HCAR1SMN1; SMN2
SCHEMBL980053 0.69
SCHEMBL981733 0.64 AOC3 (0.34) SMN1; SMN2
SCHEMBL17993348 0.62
SCHEMBL13531474 0.61 HRH4 (0.46)
SCHEMBL979790 0.61 TSHR (0.30)
SCHEMBL13531632 0.59 IP6K1 (0.45)
SCHEMBL2915396 0.59 IP6K1 (0.45)
SCHEMBL3628038 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471309-B Imidazole derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2014-09-03 CN disclosed
EP-2456765-B1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-05-01 EP disclosed
US-8334287-B2 Imidazoles HOFFMANN-LA ROCHE INC. (US) 2012-12-18 US disclosed
EP-2456765-A1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP disclosed
CN-102471309-A Imidazole derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2012-05-23 CN disclosed
WO-2011006910-A1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 WO disclosed
US-20110015202-A1 IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 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-20110015202-A1 IMIDAZOLES GRM5, GRM1, GRIK5 HCAR1 158/4885PARP1 4863/4885SMN1; SMN2 2414/4885

“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.