SCHEMBL976840

SCHEMBL976840

CS(=O)(=O)c1ccc(NC(=O)N2CCc3nc(C(=O)Nc4ccccc4N)sc3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 2/20 0.44
F10 P00742 15/20 0.43
F2 P00734 1/20 0.41
F9 P00740 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
F7 P08709 1/20 0.41
PRSS3 P35030 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL977364 0.91 F10 (0.45) HDAC3HDAC1HDAC6F10F2
SCHEMBL975313 0.89 F10 (0.51) HDAC3HDAC1HDAC6F10F2
SCHEMBL977976 0.88 HDAC3 (0.51) HDAC3HDAC1HDAC6F10F2
SCHEMBL975007 0.87 F10 (0.58) HDAC3HDAC1HDAC6F10F2
SCHEMBL978397 0.87 NAMPT (0.46) HDAC3HDAC1HDAC6F10F2
SCHEMBL979080 0.87 LMNA (0.44) HDAC3HDAC1HDAC6F10F2
SCHEMBL13822838 0.87 HDAC3 (0.51) HDAC3HDAC1HDAC6F10
SCHEMBL977872 0.87 HDAC3 (0.45) HDAC3HDAC1HDAC6F10NAMPT
SCHEMBL978289 0.86 HDAC3 (0.47) HDAC3HDAC1HDAC6F10F2
SCHEMBL978994 0.85 F10 (0.47) HDAC3HDAC1HDAC6F10F2

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 6 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

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 HDAC3 3/4885HDAC1 1/4885HDAC6 11/4885

“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.