SCHEMBL976324

SCHEMBL976324

CCCCNC(=O)N1CCc2nc(C(N)=O)sc2C1c1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 1/20 0.37
BCHE P06276 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDR P35968 1/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.35
ASAH1 Q13510 2/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
CLPP Q16740 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL978816 0.86 PTGDR2 (0.35) PTGDR2
SCHEMBL976158 0.85 LMNA (0.46) KMT2APTGDR2ASAH1KDM4EMAPT
SCHEMBL977839 0.81 NPC1 (0.39) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL979157 0.80 TRPM8 (0.46) TSHR
SCHEMBL977977 0.79 LHCGR (0.38) TSHR
SCHEMBL977879 0.79 LHCGR (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL980003 0.79 MAPT (0.38) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL976752 0.78 TRPM8 (0.47) TSHR
SCHEMBL977409 0.77 LIMK1 (0.36) MEN1KMT2A
SCHEMBL976819 0.76 LHCGR (0.37) PTGDR2TSHR

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 HHAT 1937/4885BCHE 3017/4885MEN1 3674/4885

“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.