SCHEMBL976902

SCHEMBL976902

COc1ccc(NC(=O)N2CCc3nc(C(N)=O)sc3C2c2cc(OC)ccc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 9/20 0.45
F10 P00742 4/20 0.45
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
F2 P00734 1/20 0.41
F9 P00740 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
F7 P08709 1/20 0.41
PRSS3 P35030 1/20 0.41
PI4KB Q9UBF8 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
SCHEMBL978742 0.95 TP53 (0.48) LHCGRF10TP53MAPTF2
SCHEMBL977760 0.94 LHCGR (0.40) LHCGRF10TP53MAPTF2
SCHEMBL978084 0.92 LHCGR (0.42) LHCGRF10TP53MAPTF2
SCHEMBL977969 0.92 LHCGR (0.42) LHCGRF10TP53MAPTF2
SCHEMBL977879 0.91 LHCGR (0.44) LHCGRF10TP53MAPT
SCHEMBL978660 0.91 LHCGR (0.41) LHCGRF10TP53MAPT
SCHEMBL980012 0.89 LHCGR (0.42) LHCGRF10TP53MAPTF2
SCHEMBL978466 0.89 HDAC3 (0.43) LHCGRF10TP53
SCHEMBL976015 0.84 MAPT (0.38) LHCGRTP53MAPT
SCHEMBL977484 0.83 TRPV1 (0.43) MAPT

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 3 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 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 LHCGR 2821/4885F10 2726/4885TP53 2132/4885

“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.