SCHEMBL975341

SCHEMBL975341

COc1ccc(NC(=O)N2CCc3nc(C(N)=O)sc3C2c2ccccc2N)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SHMT2 P34897 2/20 0.41
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LHCGR P22888 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL977879 0.90 LHCGR (0.44) TP53NPC1MAPTSMN1; SMN2LHCGR
SCHEMBL976787 0.88 L3MBTL1 (0.38) TP53POLBNPC1MAPTLMNA
SCHEMBL976614 0.88 SHMT2 (0.40) TP53POLBNPC1MAPTLMNA
SCHEMBL977839 0.87 NPC1 (0.39) TP53POLBNPC1MAPTTSHR
SCHEMBL3696425 0.87 LHCGR (0.44) POLBNPC1MAPTTSHRLHCGR
SCHEMBL977977 0.85 LHCGR (0.38) TSHRLHCGR
SCHEMBL980003 0.85 MAPT (0.38) TP53NPC1MAPTLMNAL3MBTL1
SCHEMBL978995 0.85 LHCGR (0.47) TSHRLHCGR
SCHEMBL979157 0.84 TRPM8 (0.46) TSHRLHCGR
SCHEMBL977409 0.84 LIMK1 (0.36) LHCGRKMT2AMEN1

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 TP53 2132/4885POLB 1365/4885NPC1 2881/4885

“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.