SCHEMBL978807

SCHEMBL978807

NC(=O)c1sc2c(c1-c1ccccc1N)CCN(C(=O)Nc1cnc3ccccc3c1)C2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
TRPV1 Q8NER1 1/20 0.43
FAAH O00519 11/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPY5R Q15761 1/20 0.39
USP30 Q70CQ3 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL978220 0.93 NPC1 (0.48) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL978005 0.83 PDE10A (0.41) NPC1SMN1; SMN2TP53RAB9ATRPV1
SCHEMBL978824 0.76 CSNK1E (0.47) TRPV1FAAH
SCHEMBL978143 0.76 CSNK1E (0.43) NPC1SMN1; SMN2RAB9ATRPV1
SCHEMBL976354 0.76 PDGFRB (0.45) TRPV1FAAH
SCHEMBL978804 0.75 KDM4E (0.50) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL976293 0.75 KDM4E (0.50) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL978800 0.73 RECQL (0.41) SMN1; SMN2HSD17B10TP53
SCHEMBL977443 0.72 TRPV1 (0.51) NPC1SMN1; SMN2RAB9ATRPV1NPSR1
SCHEMBL976928 0.70 NPC1 (0.47) KDM4ENPC1SMN1; SMN2HSD17B10TP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.