SCHEMBL976678

SCHEMBL976678

CCN(CC)C(=O)c1nc2c(s1)CN(C(N)=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GRM5 P41594 8/20 0.40
▸ RAD52 P43351 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ F10 P00742 6/20 0.37
▸ KDR P35968 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL26420713 0.76 DPP4 (0.48) NPC1RAB9AGRM5RAD52RECQL
SCHEMBL976666 0.75 HDAC3 (0.40) NPC1RAB9AGRM5F10
SCHEMBL23657755 0.72 KDM4E (0.46) NPC1RAB9AKDRIKBKBCHUK
SCHEMBL3703391 0.69 F10 (0.47) NPC1RAB9AGRM5F10GAA
SCHEMBL3441465 0.69 MAPT (0.46) NPC1RAB9AGRM5GAA
SCHEMBL977983 0.68 GRM5 (0.48) NPC1RAB9AGRM5F10GAA
SCHEMBL28895700 0.68 GRM5 (0.44) NPC1RAB9AGRM5
SCHEMBL31143542 0.68 ADORA1 (0.51) F10
SCHEMBL978100 0.67 F10 (0.52) F10F2
SCHEMBL765133 0.67 F10 (0.49) GRM5F10F2

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 4 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
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 — — US 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 1395/4885GRM5 2738/4885

“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.

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