SCHEMBL978660

SCHEMBL978660

COc1ccc(NC(=O)N2CCc3nc(C(N)=O)sc3C2c2cc(N3CCCC3)ccc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 7/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 5/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NR4A1 P22736 1/20 0.40
RAB9A P51151 1/20 0.40
MCL1 Q07820 1/20 0.40
F10 P00742 1/20 0.40
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL976902 0.91 LHCGR (0.45) LHCGRTP53MAPTF10
SCHEMBL978084 0.87 LHCGR (0.42) LHCGRTP53MAPTKMT2AALDH1A1
SCHEMBL977969 0.87 LHCGR (0.42) LHCGRTP53MAPTKMT2AALDH1A1
SCHEMBL978742 0.87 TP53 (0.48) LHCGRTP53MAPTKMT2AF10
SCHEMBL977879 0.86 LHCGR (0.44) LHCGRTP53MAPTKMT2AALDH1A1
SCHEMBL977760 0.85 LHCGR (0.40) LHCGRTP53MAPTKMT2AALDH1A1
SCHEMBL980012 0.84 LHCGR (0.42) LHCGRTP53MAPTF10
SCHEMBL978466 0.84 HDAC3 (0.43) LHCGRTP53F10
SCHEMBL976015 0.80 MAPT (0.38) LHCGRTP53MAPTKMT2AALDH1A1
SCHEMBL975341 0.79 TP53 (0.41) LHCGRTP53MAPTKMT2AMEN1

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 2821/4885TP53 2132/4885MAPT 2144/4885

“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.