SCHEMBL976015

SCHEMBL976015

CN(C)c1ccc(NC(=O)N2CCc3nc(C(N)=O)sc3C2c2cc(N(C)C)ccc2N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
THRB P10828 1/20 0.38
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR2 Q92731 1/20 0.36
KIT P10721 4/20 0.34
ROCK2 O75116 2/20 0.33
LHCGR P22888 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL977969 0.94 LHCGR (0.42) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL978949 0.92 MAPT (0.35) MAPTTHRBGAASMN1; SMN2TP53
SCHEMBL977760 0.92 LHCGR (0.40) MAPTTHRBSMN1; SMN2TP53MEN1
SCHEMBL980003 0.91 MAPT (0.38) MAPTTHRBGAASMN1; SMN2TP53
SCHEMBL976787 0.91 L3MBTL1 (0.38) MAPTSMN1; SMN2TP53KMT2ALHCGR
SCHEMBL977309 0.89 HDAC1 (0.35) MAPTTHRBGAASMN1; SMN2TP53
SCHEMBL976780 0.89 HDAC2 (0.41)
SCHEMBL977409 0.86 LIMK1 (0.36) MEN1KMT2AROCK2LHCGR
Hydrochloric Acid SCHEMBL979201 0.85 LIMK1 (0.36) MEN1KMT2AROCK2LHCGR
SCHEMBL976902 0.84 LHCGR (0.45) MAPTTP53LHCGR

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 MAPT 2144/4885THRB 3429/4885GAA 1551/4885

“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.