SCHEMBL977976

SCHEMBL977976

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)Nc1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
F10 P00742 11/20 0.44
HDAC2 Q92769 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
F2 P00734 1/20 0.42
F9 P00740 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
F7 P08709 1/20 0.42
PRSS3 P35030 1/20 0.42
PIK3CA P42336 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL13822838 0.93 HDAC3 (0.51) HDAC3HDAC1HDAC6F10HDAC2
SCHEMBL975313 0.92 F10 (0.51) HDAC3HDAC1HDAC6F10HDAC2
SCHEMBL978994 0.91 F10 (0.47) HDAC3HDAC1HDAC6F10NPC1
SCHEMBL977872 0.91 HDAC3 (0.45) HDAC3HDAC1HDAC6F10NAMPT
SCHEMBL979080 0.89 LMNA (0.44) HDAC3HDAC1HDAC6F10F2
SCHEMBL975007 0.89 F10 (0.58) HDAC3HDAC1HDAC6F10HDAC2
SCHEMBL978479 0.89 NAMPT (0.45) HDAC3HDAC1HDAC6F10F2
SCHEMBL978397 0.89 NAMPT (0.46) HDAC3HDAC1HDAC6F10F2
SCHEMBL978289 0.88 HDAC3 (0.47) HDAC3HDAC1HDAC6F10F2
SCHEMBL976840 0.88 HDAC3 (0.44) 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 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 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.