SCHEMBL977443

SCHEMBL977443

COc1ccc(NC(=O)N2CCc3sc(C(N)=O)c(-c4ccccc4N)c3C2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.47
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 1/20 0.45
GAA P10253 1/20 0.43
SHMT2 P34897 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CSNK1E P49674 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
P2RX7 Q99572 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
SCHEMBL976354 0.80 PDGFRB (0.45) TRPV1CSNK1E
SCHEMBL975387 0.78 HDAC1 (0.47) TRPV1NAMPTNPC1RAB9A
SCHEMBL978005 0.75 PDE10A (0.41) TRPV1SMN1; SMN2NAMPTNPC1RAB9A
SCHEMBL977442 0.75 NAMPT (0.51) TRPV1L3MBTL1THRBSMN1; SMN2NAMPT
SCHEMBL976881 0.73 THRB (0.49) TRPV1L3MBTL1THRBSMN1; SMN2NAMPT
SCHEMBL13822964 0.73 HDAC1 (0.45) SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL978807 0.72 KDM4E (0.50) TRPV1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL29370405 0.72 ALDH1A1 (0.74) TRPV1L3MBTL1THRBSMN1; SMN2NAMPT
SCHEMBL975340 0.72 F10 (0.47) TRPV1L3MBTL1THRBSMN1; SMN2NAMPT
SCHEMBL978152 0.69 HDAC1 (0.44) CSNK1E

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 TRPV1 4524/4885L3MBTL1 3669/4885THRB 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.