SCHEMBL978006

SCHEMBL978006

CN(C(=O)N1CCc2nc(C(N)=O)sc2C1c1ccccc1N)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PIK3CG P48736 1/20 0.33
PTGDR2 Q9Y5Y4 5/20 0.32
NOTUM Q6P988 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
SCHEMBL977592 0.89 HTT (0.34) PIK3CGPTGDR2
SCHEMBL977808 0.88 PTGDR2 (0.34) PTGDR2
SCHEMBL980145 0.87 PTGDR2 (0.35) PTGDR2
SCHEMBL978049 0.86 HSD17B10 (0.34) PTGDR2
SCHEMBL977386 0.83 PTGDR2 (0.37) PTGDR2
SCHEMBL976474 0.82 TRPC3 (0.39) PTGDR2
SCHEMBL976752 0.81 TRPM8 (0.47)
SCHEMBL977762 0.79 PTGDR2 (0.34) PTGDR2
SCHEMBL978816 0.78 PTGDR2 (0.35) PTGDR2
SCHEMBL980003 0.77 MAPT (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 FNTA 3760/4885FNTB 2018/4885PIK3CG 1888/4885

“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.