SCHEMBL979622

SCHEMBL979622

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)c1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC6 Q9UBN7 2/20 0.58
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
F10 P00742 5/20 0.47
GRM5 P41594 6/20 0.44
HDAC2 Q92769 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MTHFD2 P13995 2/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL13822776 0.94 HDAC3 (0.56) HDAC1HDAC3HDAC6CCNCCDK8
SCHEMBL979685 0.91 HDAC1 (0.53) HDAC1HDAC3HDAC6CCNCCDK8
SCHEMBL976873 0.90 HDAC3 (0.51) HDAC1HDAC3HDAC6CCNCCDK8
SCHEMBL977285 0.89 HDAC1 (0.60) HDAC1HDAC3HDAC6F10GRM5
SCHEMBL979184 0.89 HDAC1 (0.51) HDAC1HDAC3HDAC6CCNCCDK8
SCHEMBL977471 0.89 HDAC3 (0.50) HDAC1HDAC3HDAC6CCNCCDK8
SCHEMBL13822836 0.88 F10 (0.47) HDAC1HDAC3HDAC6F10GRM5
SCHEMBL977976 0.88 HDAC3 (0.51) HDAC1HDAC3HDAC6F10HDAC2
SCHEMBL978737 0.87 HDAC3 (0.49) HDAC1HDAC3HDAC6CCNCCDK8
SCHEMBL13822901 0.87 HDAC3 (0.49) HDAC1HDAC3HDAC6F10GRM5

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 HDAC1 1/4885HDAC3 3/4885HDAC6 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.