SCHEMBL975168

SCHEMBL975168

CN(C)c1cccc(C(=O)N2CCc3nc(C(=O)Nc4ccccc4N)sc3C2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.49
GRM5 P41594 6/20 0.47
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 2/20 0.47
NAMPT P43490 1/20 0.47
ABL1 P00519 1/20 0.42
BCR P11274 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
SCHEMBL979184 0.91 HDAC1 (0.51) F10GRM5HDAC3HDAC1HDAC6
SCHEMBL977809 0.88 F10 (0.45) F10HDAC3HDAC1HDAC6
SCHEMBL977408 0.87 F10 (0.46) F10HDAC3HDAC1HDAC6NAMPT
Hydrochloric Acid SCHEMBL977810 0.87 F10 (0.45) F10HDAC3HDAC1HDAC6NAMPT
SCHEMBL977471 0.85 HDAC3 (0.50) F10GRM5HDAC3HDAC1HDAC6
SCHEMBL979685 0.84 HDAC1 (0.53) F10GRM5HDAC3HDAC1HDAC6
SCHEMBL976205 0.83 F10 (0.45) F10GRM5HDAC3HDAC1HDAC6
SCHEMBL13822901 0.83 HDAC3 (0.49) F10GRM5HDAC3HDAC1HDAC6
SCHEMBL13822776 0.83 HDAC3 (0.56) F10GRM5HDAC3HDAC1HDAC6
SCHEMBL979622 0.83 HDAC1 (0.58) F10GRM5HDAC3HDAC1HDAC6

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 2726/4885GRM5 2738/4885HDAC3 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.