SCHEMBL976676

SCHEMBL976676

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)C=Cc1cccnc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.49
NAMPT P43490 1/20 0.49
HDAC3 O15379 6/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 4/20 0.42
KCNH2 Q12809 3/20 0.41
F10 P00742 6/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL976675 1.00 HDAC1 (0.49) HDAC1NAMPTHDAC3HDAC2HDAC6
SCHEMBL976114 0.85 HDAC1 (0.42) HDAC1HDAC3HDAC2HDAC6KCNH2
SCHEMBL976116 0.85 HDAC1 (0.42) HDAC1HDAC3HDAC2HDAC6KCNH2
SCHEMBL976751 0.83 PDGFRB (0.51) HDAC1NAMPTHDAC3HDAC2HDAC6
SCHEMBL977826 0.82 MAOB (0.46) HDAC1HDAC3HDAC6
SCHEMBL977828 0.82 MAOB (0.46) HDAC1HDAC3HDAC6
Hydrochloric Acid SCHEMBL976357 0.82 PDGFRB (0.50) HDAC1NAMPTHDAC3HDAC2HDAC6
SCHEMBL979703 0.81 HDAC1 (0.43) HDAC1NAMPTHDAC3HDAC2HDAC6
SCHEMBL977173 0.80 PIK3CG (0.43) HDAC1HDAC3HDAC2HDAC6F10
SCHEMBL975040 0.80 HDAC1 (0.49) HDAC1NAMPTHDAC3HDAC2HDAC6

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 6 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-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

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 HDAC1 1/4885NAMPT 485/4885HDAC3 3/4885

“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.