SCHEMBL976928

SCHEMBL976928

Nc1ccc(F)cc1NC(=O)c1cc2c(s1)CN(C(=O)Nc1cnc3ccccc3c1)CC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
FAAH O00519 6/20 0.44
TRPV1 Q8NER1 1/20 0.44
KDM1A O60341 1/20 0.43
HDAC3 O15379 5/20 0.42
HDAC2 Q92769 5/20 0.41
HDAC1 Q13547 1/20 0.38
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
SCHEMBL978804 0.92 KDM4E (0.50) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL976671 0.85 CSNK1E (0.43) NPC1RAB9AFAAHKDM1AHDAC3
SCHEMBL977866 0.84 KDM1A (0.45) NPC1RAB9AKDM1AHDAC3HDAC2
SCHEMBL979002 0.78 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TRPV1KDM1A
SCHEMBL977071 0.77 HDAC1 (0.49) NPC1KDM4EKDM1AHDAC3HDAC2
SCHEMBL976293 0.77 KDM4E (0.50) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL978220 0.77 NPC1 (0.48) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL978003 0.76 KDM1A (0.48) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL976202 0.76 PDGFRB (0.47) KDM1AHDAC3HDAC2HDAC1KDR
SCHEMBL978070 0.74 HTR2C (0.52) NPC1RAB9ASMN1; SMN2HDAC3HDAC2

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 NPC1 2881/4885RAB9A 1395/4885KDM4E 49/4885

“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.