SCHEMBL978827

SCHEMBL978827

CCCCNC(=O)N1CCc2sc(C(N)=O)c(-c3cc(-c4cccs4)ccc3N)c2C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 16/20 0.42
HDAC1 Q13547 15/20 0.42
HDAC3 O15379 13/20 0.42
KMT2A Q03164 1/20 0.41
NOS2 P35228 1/20 0.38
KCNH2 Q12809 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
SCHEMBL975387 0.82 HDAC1 (0.47) HDAC2HDAC1HDAC3
SCHEMBL978152 0.79 HDAC1 (0.44) HDAC2HDAC1HDAC3
SCHEMBL975738 0.77 HDAC1 (0.53) HDAC2HDAC1HDAC3KCNH2
SCHEMBL980323 0.66 HDAC2 (0.51) HDAC2HDAC1HDAC3KCNH2
SCHEMBL4125668 0.65 ALDH1A1 (0.59) KMT2A
SCHEMBL6081560 0.61 NAMPT (0.72) KMT2A
SCHEMBL10243028 0.61 SMN1; SMN2 (0.65)
SCHEMBL13736984 0.61 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833410 0.60 HDAC1 (1.00) HDAC2HDAC1HDAC3
SCHEMBL8234801 0.60 KCNH2 (0.72) HDAC2HDAC1HDAC3KCNH2

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 HDAC2 6/4885HDAC1 1/4885HDAC3 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.