SCHEMBL979973

SCHEMBL979973

CC(C)c1ccc(N)c(NC(=O)c2nc3c(s2)CN(C(=S)Nc2cccnc2)CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
F10 P00742 10/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3CG P48736 1/20 0.39
HDAC2 Q92769 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
AGTR1 P30556 1/20 0.38
KDR P35968 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 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
SCHEMBL977206 0.92 HTR2A (0.47) HTR2AHTR2CF10NPC1RAB9A
SCHEMBL975949 0.91 HDAC3 (0.43) F10HDAC2HDAC1HDAC3
SCHEMBL979596 0.89 F10 (0.51) F10RAB9AHDAC2ALDH1A1KDR
SCHEMBL979703 0.88 HDAC1 (0.43) F10PIK3CGHDAC2KDRHDAC1
SCHEMBL975667 0.85 F10 (0.55) F10HDAC1HDAC3
SCHEMBL977708 0.81 PDGFRB (0.45) HTR2AHTR2CF10HDAC2HDAC1
SCHEMBL978057 0.80 TRPV1 (0.39) F10HDAC2HDAC1HDAC3
SCHEMBL976751 0.80 PDGFRB (0.51) F10PIK3CGHDAC2KDRHDAC1
SCHEMBL978811 0.79 F10 (0.55) F10NPC1RAB9AHDAC2ALDH1A1
SCHEMBL976807 0.79 HDAC1 (0.47) F10NPC1RAB9AHDAC2HDAC1

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 HTR2A 3871/4885HTR2C 3359/4885F10 2726/4885

“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.