SCHEMBL4580158

SCHEMBL4580158

Nc1ccc(-c2ccccn2)cc1NC(=O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.63
HDAC2 Q92769 6/20 0.56
SCN9A Q15858 1/20 0.56
HPGDS O60760 1/20 0.56
HIF1A Q16665 3/20 0.54
EPAS1 Q99814 3/20 0.54
DYRK1A Q13627 1/20 0.54
RAB9A P51151 1/20 0.54
KCNH2 Q12809 2/20 0.53
HDAC3 O15379 5/20 0.53

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
SCHEMBL4579730 0.86 HDAC1 (0.79) HDAC1HDAC2HIF1AEPAS1RAB9A
SCHEMBL4580174 0.85 HDAC1 (0.64) HDAC1HDAC2HIF1AEPAS1KCNH2
SCHEMBL4578145 0.83 HDAC1 (0.64) HDAC1HDAC2KCNH2HDAC3
SCHEMBL4578900 0.82 HDAC1 (0.70) HDAC1HDAC2HIF1AEPAS1RAB9A
SCHEMBL4579920 0.82 HDAC1 (0.67) HDAC1HDAC2HIF1AEPAS1RAB9A
SCHEMBL4580575 0.81 HDAC1 (0.58) HDAC1HDAC2HIF1AEPAS1RAB9A
SCHEMBL3558274 0.81 HDAC1 (0.71) HDAC1HDAC2HIF1AEPAS1RAB9A
SCHEMBL1063737 0.80 HDAC1 (0.75) HDAC1HDAC2KCNH2HDAC3
SCHEMBL4578211 0.80 HDAC2 (0.62) HDAC1HDAC2HIF1AEPAS1RAB9A
SCHEMBL4579854 0.80 HDAC1 (0.57) HDAC1HDAC2HIF1AEPAS1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN claimed
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN disclosed
CN-101466670-A Benzamide derivatives as inhibitors of histone deacetylase METHYLGENE INC (CA) 2009-06-24 CN disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885SCN9A 3841/4885

“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.