SCHEMBL3558274

SCHEMBL3558274

Nc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.71
HDAC3 O15379 3/20 0.71
HDAC4 P56524 3/20 0.71
HDAC7 Q8WUI4 3/20 0.71
HDAC2 Q92769 3/20 0.71
HDAC10 Q969S8 3/20 0.71
HDAC11 Q96DB2 3/20 0.71
HDAC8 Q9BY41 3/20 0.71
HDAC6 Q9UBN7 3/20 0.71
HDAC9 Q9UKV0 3/20 0.71
HDAC5 Q9UQL6 3/20 0.71
RAB9A P51151 2/20 0.71
HIF1A Q16665 4/20 0.70
EPAS1 Q99814 4/20 0.70
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 1/20 0.61

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
SCHEMBL20304929 0.89 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21816590 0.88 HDAC1 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20304893 0.86 HDAC1 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4579730 0.86 HDAC1 (0.79) HDAC1HDAC3HDAC2RAB9AHIF1A
SCHEMBL13626616 0.85 RAB9A (0.75) HDAC1RAB9AHIF1AEPAS1MAPT
SCHEMBL20333305 0.85 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4714063 0.85 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4896072 0.84 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12674139 0.84 RAB9A (0.73) HDAC1RAB9AHIF1AEPAS1MAPT
SCHEMBL14155855 0.84 RAB9A (0.60) HDAC1RAB9AHIF1AEPAS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
EP-1590340-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-04-07 EP disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC4 8/4885

“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.