SCHEMBL975199

SCHEMBL975199

COc1ccc(NC(=O)N2CCc3cc(C(=O)Nc4cc(C(C)C)ccc4N)sc3C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SIRT5 Q9NXA8 1/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
ATM Q13315 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
SCHEMBL976881 0.88 THRB (0.49) L3MBTL1TRPV1SMN1; SMN2MAPTKMT2A
SCHEMBL979002 0.87 NPC1 (0.48) TRPV1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL975053 0.86 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKMT2ARAB9ATHRB
SCHEMBL976612 0.84 SIRT5 (0.46) L3MBTL1TRPV1SMN1; SMN2MAPTSIRT5
SCHEMBL978288 0.83 ALDH1A1 (0.43) TRPV1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL13822828 0.83 HDAC6 (0.47) L3MBTL1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL978070 0.82 HTR2C (0.52) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL977442 0.82 NAMPT (0.51) L3MBTL1TRPV1SMN1; SMN2MAPTRAB9A
SCHEMBL1175185 0.78 RAB9A (0.60) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL976172 0.77 MEN1 (0.45) MAPTKMT2ARAB9ANPC1KDM4E

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 7 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 claimed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
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 L3MBTL1 3669/4885TRPV1 4524/4885SMN1; SMN2 4506/4885

“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.