SCHEMBL978084

SCHEMBL978084

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 9/20 0.42
F10 P00742 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
F2 P00734 1/20 0.37
F9 P00740 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
F7 P08709 1/20 0.37
PRSS3 P35030 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 0.92 LHCGR (0.45) LHCGRF10TP53MAPTF2
SCHEMBL976614 0.92 SHMT2 (0.40) LHCGRTP53MAPTALDH1A1LMNA
SCHEMBL978490 0.91 LHCGR (0.40) LHCGRTP53MAPTLMNAKMT2A
SCHEMBL978949 0.89 MAPT (0.35) LHCGRTP53MAPTALDH1A1LMNA
SCHEMBL977969 0.88 LHCGR (0.42) LHCGRF10TP53MAPTALDH1A1
SCHEMBL978742 0.87 TP53 (0.48) LHCGRF10TP53MAPTKMT2A
SCHEMBL977879 0.87 LHCGR (0.44) LHCGRF10TP53MAPTALDH1A1
SCHEMBL977760 0.86 LHCGR (0.40) LHCGRF10TP53MAPTALDH1A1
SCHEMBL978099 0.85 HTR2C (0.46) LHCGRTP53MAPTMEN1RAB9A
SCHEMBL980012 0.85 LHCGR (0.42) LHCGRF10TP53MAPTF2

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 5 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
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 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.