SCHEMBL979827

SCHEMBL979827

CCN(C(=O)N1CCc2nc(C(N)=O)sc2C1c1ccccc1N)c1ccc2c(c1)OCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.37
TRPC6 Q9Y210 3/20 0.37
TSHR P16473 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
MAPK14 Q16539 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
SCHEMBL978328 0.91 TRPC3 (0.35) TRPC3TRPC6TSHRALDH1A1KDM4E
SCHEMBL976474 0.90 TRPC3 (0.39) TRPC3TRPC6LMNARECQLPTGDR2
SCHEMBL977219 0.86 PTGDR2 (0.37) MAPTALOX15PTGDR2
SCHEMBL977592 0.83 HTT (0.34) PTGDR2
SCHEMBL976590 0.80 TRPC3 (0.45) TRPC3TRPC6TSHRMEN1ALDH1A1
SCHEMBL977762 0.80 PTGDR2 (0.34) MEN1ALDH1A1KMT2AMAPTPTGDR2
SCHEMBL977591 0.78 PTGDR2 (0.35) MAPTALOX15PTGDR2
SCHEMBL977808 0.78 PTGDR2 (0.34) ALDH1A1GAAMAPTPTGDR2
SCHEMBL980145 0.76 PTGDR2 (0.35) PTGDR2
SCHEMBL977386 0.76 PTGDR2 (0.37) MEN1KMT2AMAPTALOX15PTGDR2

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 TRPC3 4653/4885TRPC6 4552/4885TSHR 4060/4885

“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.