SCHEMBL978020

SCHEMBL978020

Nc1ccccc1NC(=O)c1nc2c(s1)CN(/C(=C\[N+](=O)[O-])Nc1ccccc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 2/20 0.43
F10 P00742 16/20 0.40
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
F2 P00734 1/20 0.37
F9 P00740 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
F7 P08709 1/20 0.37
PRSS3 P35030 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL978021 1.00 HDAC3 (0.43) HDAC3HDAC1HDAC6F10HDAC2
SCHEMBL976710 0.91 F10 (0.40) HDAC3HDAC1HDAC6F10F2
SCHEMBL976709 0.91 F10 (0.40) HDAC3HDAC1HDAC6F10F2
SCHEMBL975417 0.91 F10 (0.51) HDAC3HDAC1HDAC6F10HDAC2
SCHEMBL975416 0.91 F10 (0.51) HDAC3HDAC1HDAC6F10HDAC2
SCHEMBL976188 0.91 F10 (0.40) HDAC3HDAC1HDAC6F10F2
SCHEMBL976189 0.91 F10 (0.40) HDAC3HDAC1HDAC6F10F2
SCHEMBL979592 0.89 HDAC3 (0.39) HDAC3HDAC1HDAC6F10HDAC2
SCHEMBL979594 0.89 HDAC3 (0.39) HDAC3HDAC1HDAC6F10HDAC2
SCHEMBL976082 0.88 F10 (0.43) HDAC3HDAC1HDAC6F10HDAC2

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
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

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.