SCHEMBL976697

SCHEMBL976697

COc1ccc(NC(=O)C(=O)N2CCc3nc(C(=O)Nc4cc(C(C)C)ccc4N)sc3C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.44
F2 P00734 3/20 0.42
F9 P00740 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
F7 P08709 3/20 0.42
PRSS3 P35030 3/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ROCK2 O75116 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPT P10636 1/20 0.38
HDAC2 Q92769 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
SCHEMBL976612 0.92 SIRT5 (0.46) F10F2F9PRSS1PRSS2
SCHEMBL977835 0.91 F10 (0.55) F10F2F9PRSS1PRSS2
SCHEMBL978004 0.91 F10 (0.53) F10F2F9PRSS1PRSS2
SCHEMBL976379 0.89 F10 (0.46) F10F2F9PRSS1PRSS2
SCHEMBL978517 0.84 F10 (0.40) F10F2F9PRSS1PRSS2
SCHEMBL978515 0.84 F10 (0.40) F10F2F9PRSS1PRSS2
SCHEMBL977957 0.83 F10 (0.61) F10F2F9PRSS1PRSS2
SCHEMBL975379 0.83 F10 (0.56) F10F2F9PRSS1PRSS2
SCHEMBL978444 0.82 HDAC2 (0.47) F10F2F9PRSS1PRSS2
SCHEMBL977792 0.82 F10 (0.51) F10F2F9PRSS1PRSS2

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 10 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
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP claimed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO 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 F10 2726/4885F2 3554/4885F9 2236/4885

“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.