SCHEMBL978152

SCHEMBL978152

NC(=O)c1sc2c(c1-c1cc(-c3cccs3)ccc1N)CN(C(=O)Nc1cccnc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.44
HDAC2 Q92769 17/20 0.44
HDAC3 O15379 16/20 0.44
CSNK1E P49674 1/20 0.40
PDE10A Q9Y233 1/20 0.39
PDGFRB P09619 1/20 0.38

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
SCHEMBL976354 0.86 PDGFRB (0.45) CSNK1EPDE10APDGFRB
SCHEMBL975387 0.85 HDAC1 (0.47) HDAC1HDAC2HDAC3
SCHEMBL978824 0.80 CSNK1E (0.47) HDAC2CSNK1EPDE10APDGFRB
SCHEMBL978827 0.79 HDAC2 (0.42) HDAC1HDAC2HDAC3
SCHEMBL977972 0.79 HDAC3 (0.55) HDAC1HDAC2HDAC3
SCHEMBL975412 0.77 HDAC3 (0.55) HDAC1HDAC2HDAC3
SCHEMBL978005 0.71 PDE10A (0.41) CSNK1EPDE10A
SCHEMBL978143 0.71 CSNK1E (0.43) HDAC1HDAC2CSNK1EPDE10A
SCHEMBL977443 0.69 TRPV1 (0.51) CSNK1E
SCHEMBL979192 0.67 NAMPT (0.42) HDAC1HDAC2HDAC3

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 HDAC1 1/4885HDAC2 6/4885HDAC3 3/4885

“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.