SCHEMBL4580174

SCHEMBL4580174

Nc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.64
HDAC2 Q92769 7/20 0.59
TBK1 Q9UHD2 1/20 0.58
HDAC3 O15379 10/20 0.57
KCNH2 Q12809 1/20 0.55
HIF1A Q16665 2/20 0.53
EPAS1 Q99814 2/20 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 0.90 HDAC1 (0.79) HDAC1HDAC2HDAC3HIF1AEPAS1
SCHEMBL4579920 0.90 HDAC1 (0.67) HDAC1HDAC2HDAC3KCNH2HIF1A
SCHEMBL4578900 0.90 HDAC1 (0.70) HDAC1HDAC2HDAC3KCNH2HIF1A
SCHEMBL4578145 0.89 HDAC1 (0.64) HDAC1HDAC2HDAC3KCNH2
SCHEMBL4578653 0.86 HDAC1 (0.70) HDAC1HDAC2HDAC3KCNH2HIF1A
SCHEMBL4578211 0.85 HDAC2 (0.62) HDAC1HDAC2HDAC3KCNH2HIF1A
SCHEMBL4580575 0.85 HDAC1 (0.58) HDAC1HDAC2HDAC3KCNH2HIF1A
SCHEMBL4580158 0.85 HDAC1 (0.63) HDAC1HDAC2HDAC3KCNH2HIF1A
SCHEMBL4578865 0.84 NPC1 (0.68) HDAC1HDAC2HDAC3KCNH2HIF1A
SCHEMBL1063737 0.83 HDAC1 (0.75) HDAC1HDAC2HDAC3KCNH2

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 8 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
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 5/4885TBK1 3238/4885

“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.