SCHEMBL976787

SCHEMBL976787

COc1ccc(NC(=O)N2CCc3nc(C(N)=O)sc3C2c2cc(N(C)C)ccc2N)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 5/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
LHCGR P22888 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
SHMT2 P34897 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.36
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL977969 0.92 LHCGR (0.42) MAPTTP53LHCGRSMN1; SMN2KMT2A
SCHEMBL976015 0.91 MAPT (0.38) L3MBTL1MAPTTP53LMNALHCGR
SCHEMBL977760 0.88 LHCGR (0.40) MAPTTP53LHCGRSMN1; SMN2KMT2A
SCHEMBL975341 0.88 TP53 (0.41) L3MBTL1MAPTTP53LMNALHCGR
SCHEMBL976614 0.88 SHMT2 (0.40) L3MBTL1MAPTTP53LMNALHCGR
SCHEMBL978949 0.84 MAPT (0.35) MAPTTP53LMNALHCGRSMN1; SMN2
SCHEMBL980003 0.83 MAPT (0.38) L3MBTL1MAPTTP53LMNALHCGR
SCHEMBL976902 0.83 LHCGR (0.45) MAPTTP53LHCGR
SCHEMBL977409 0.83 LIMK1 (0.36) LHCGRKMT2A
Hydrochloric Acid SCHEMBL979201 0.82 LIMK1 (0.36) LHCGRKMT2A

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 L3MBTL1 3669/4885MAPT 2144/4885TP53 2132/4885

“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.