SCHEMBL978049

SCHEMBL978049

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
KCNA5 P22460 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 8/20 0.31
GAA P10253 1/20 0.31
BTK Q06187 1/20 0.31
POLB P06746 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 0.90 HTT (0.34) PTGDR2
SCHEMBL977591 0.87 PTGDR2 (0.35) MAPTPTGDR2
SCHEMBL978006 0.86 FNTA (0.36) PTGDR2
SCHEMBL978328 0.84 TRPC3 (0.35) HSD17B10KDM4EALDH1A1PTGDR2
SCHEMBL976721 0.78 PTGDR2 (0.38) ALDH1A1PTGDR2
SCHEMBL976752 0.76 TRPM8 (0.47)
SCHEMBL977762 0.76 PTGDR2 (0.34) MAPTALDH1A1PTGDR2
SCHEMBL977808 0.76 PTGDR2 (0.34) MAPTALDH1A1PTGDR2GAA
SCHEMBL980145 0.75 PTGDR2 (0.35) PTGDR2
SCHEMBL977386 0.75 PTGDR2 (0.37) MAPTPTGDR2

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 5 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
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO 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 HSD17B10 267/4885MAPT 2144/4885KCNA5 3110/4885

“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.