SCHEMBL977309

SCHEMBL977309

CN(C)c1ccc(NC(=O)N2CCc3nc(C(N)=O)sc3C2c2cc(-c3ccsc3)ccc2N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.35
MAPT P10636 3/20 0.34
THRB P10828 1/20 0.34
P2RX3 P56373 1/20 0.33
KIT P10721 2/20 0.33
NAMPT P43490 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TP53 P04637 2/20 0.31
LHCGR P22888 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR2 Q92731 1/20 0.31
HDAC2 Q92769 1/20 0.30
CNR1 P21554 1/20 0.30
ROCK2 O75116 2/20 0.30

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
SCHEMBL980012 0.90 LHCGR (0.42) HDAC1MAPTP2RX3TP53LHCGR
SCHEMBL976015 0.89 MAPT (0.38) MAPTTHRBKITNAMPTKDM4E
SCHEMBL976780 0.88 HDAC2 (0.41) HDAC1HDAC2
SCHEMBL977760 0.85 LHCGR (0.40) MAPTTHRBTP53LHCGRMEN1
SCHEMBL978949 0.85 MAPT (0.35) MAPTTHRBKITTP53LHCGR
SCHEMBL980003 0.84 MAPT (0.38) MAPTTHRBNAMPTTP53LHCGR
SCHEMBL977969 0.83 LHCGR (0.42) MAPTTP53LHCGRMEN1KMT2A
SCHEMBL976787 0.81 L3MBTL1 (0.38) MAPTTP53LHCGRKMT2ASMN1; SMN2
SCHEMBL976902 0.78 LHCGR (0.45) MAPTTP53LHCGR
SCHEMBL977409 0.78 LIMK1 (0.36) LHCGRMEN1KMT2AROCK2

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 HDAC1 1/4885MAPT 2144/4885THRB 3429/4885

“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.