SCHEMBL977720

SCHEMBL977720

COCCNC(=O)N1CCc2nc(C(=O)Nc3cc(-c4ccsc4)ccc3N)sc2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.44
HDAC1 Q13547 8/20 0.42
F10 P00742 10/20 0.40
KCNH2 Q12809 2/20 0.39
HDAC3 O15379 1/20 0.39
F2 P00734 1/20 0.38
F9 P00740 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
F7 P08709 1/20 0.38
PRSS3 P35030 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
SCHEMBL980323 0.87 HDAC2 (0.51) HDAC2HDAC1KCNH2HDAC3
SCHEMBL978900 0.85 F10 (0.53) HDAC2HDAC1F10HDAC3F2
SCHEMBL13822825 0.85 HDAC2 (0.50) HDAC2HDAC1F10KCNH2HDAC3
SCHEMBL976535 0.84 F10 (0.47) F10F2F9PRSS1PRSS2
SCHEMBL978427 0.84 HDAC1 (0.53) HDAC2HDAC1F10HDAC3F2
SCHEMBL977308 0.82 HDAC1 (0.47) HDAC2HDAC1F10KCNH2HDAC3
SCHEMBL977887 0.81 F10 (0.48) HDAC2HDAC1F10F2F9
SCHEMBL977172 0.81 HDAC1 (0.55) HDAC2HDAC1KCNH2HDAC3
SCHEMBL975057 0.81 HDAC1 (0.47) HDAC2HDAC1F10KCNH2HDAC3
SCHEMBL978753 0.80 HDAC2 (0.45) HDAC2HDAC1F10KCNH2HDAC3

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 8 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 claimed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US claimed
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 HDAC2 6/4885HDAC1 1/4885F10 2726/4885

“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.