SCHEMBL12907802

SCHEMBL12907802

[C-]#[N+]c1c(N)nc(S)c(C#N)c1-c1ccc(O[C@H]2COC[C@@H]2O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL924039 0.89 KDM4E (0.38) KDM4EALDH1A1GAA
SCHEMBL924038 0.89 KDM4E (0.38) KDM4EALDH1A1GAA
SCHEMBL12907807 0.84 PRF1 (0.33) KDM4EALDH1A1GAA
SCHEMBL12907827 0.79 ADORA1 (0.58)
SCHEMBL12907805 0.78 MAPK8 (0.38) KDM4EALDH1A1GAA
SCHEMBL12534760 0.78 ADORA1 (0.38) KDM4EALDH1A1
SCHEMBL12907810 0.77 NPY1R (0.34) KDM4EALDH1A1GAA
SCHEMBL12907809 0.77 NPY1R (0.37) KDM4EALDH1A1GAA
SCHEMBL12907806 0.77 NPY1R (0.34) KDM4EALDH1A1GAA
SCHEMBL12534753 0.77 ADORA1 (0.44) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 KDM4E 1690/4885ALDH1A1 1899/4885GAA 510/4885

“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.