SCHEMBL979100

SCHEMBL979100

Nc1ccccc1NC(=O)c1nc2c(s1)CN(S(=O)(=O)c1cccc(F)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.44
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 2/20 0.44
F10 P00742 10/20 0.42
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL977239 0.89 PTGS1 (0.48) PPARGPPARDPPARAF10ALDH1A1
SCHEMBL977988 0.88 F10 (0.46) HDAC2F10
SCHEMBL976107 0.88 KDM4E (0.46) HDAC2PPARGPPARDF10
SCHEMBL978533 0.87 F10 (0.53) HDAC2PPARGPPARDPPARAF10
SCHEMBL976294 0.87 F10 (0.42) HDAC2PPARGPPARDPPARAF10
SCHEMBL976270 0.86 NPC1 (0.44) HDAC2F10ALDH1A1KMT2A
SCHEMBL976355 0.85 F10 (0.45) F10LMNAKMT2A
SCHEMBL977766 0.84 PTGS1 (0.46) HDAC2PPARGPPARDPPARAF10
SCHEMBL975030 0.83 SMN1; SMN2 (0.47) F10ALDH1A1LMNAKMT2A
SCHEMBL978019 0.83 F10 (0.51) HDAC2F10ALDH1A1LMNAUSP2

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 HDAC2 6/4885PPARG 2733/4885PPARD 1889/4885

“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.