SCHEMBL976293

SCHEMBL976293

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)Nc1cnc3ccccc3c1)CC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50
TRPV1 Q8NER1 1/20 0.43
F10 P00742 8/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 2/20 0.40
KDR P35968 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FAAH O00519 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL976251 0.92 KDM4E (0.42) KDM4ENPC1SMN1; SMN2HSD17B10RAB9A
SCHEMBL975742 0.87 HDAC1 (0.47) F10HDAC1HDAC2HDAC3HDAC6
SCHEMBL978804 0.85 KDM4E (0.50) KDM4ENPC1SMN1; SMN2HSD17B10RAB9A
SCHEMBL977976 0.84 HDAC3 (0.51) NPC1SMN1; SMN2RAB9AF10HDAC1
SCHEMBL977872 0.84 HDAC3 (0.45) F10HDAC1HDAC3HDAC6
SCHEMBL976751 0.83 PDGFRB (0.51) F10HDAC1HDAC2HDAC3KDR
SCHEMBL976878 0.83 HDAC1 (0.42) F10HDAC1HDAC3HDAC6
SCHEMBL976899 0.83 TRPV1 (0.48) NPC1RAB9ATRPV1F10
SCHEMBL975405 0.83 F10 (0.42) F10HDAC1HDAC3HDAC6
SCHEMBL976077 0.83 HDAC1 (0.47) F10HDAC1HDAC3HDAC6

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 KDM4E 49/4885NPC1 2881/4885SMN1; SMN2 4506/4885

“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.