SCHEMBL1065855

SCHEMBL1065855

CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.55
HDAC3 O15379 5/20 0.55
HDAC2 Q92769 4/20 0.55
HDAC4 P56524 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
GBA1 P04062 4/20 0.46
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 3/20 0.41

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
SCHEMBL1083142 0.86 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1068649 0.86 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1064875 0.80 HDAC1 (0.46) HDAC1HDAC3HDAC2KCNH2
SCHEMBL8232846 0.76 HDAC3 (0.73) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL24233545 0.75 HDAC3 (0.53) HDAC1HDAC3HDAC2KCNH2
SCHEMBL29368215 0.75 HDAC3 (0.53) HDAC1HDAC3HDAC2KCNH2
SCHEMBL1662906 0.74 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL25214717 0.74 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL23960955 0.74 HDAC3 (0.59) HDAC1HDAC3HDAC2KCNH2
SCHEMBL20181689 0.74 HDAC2 (0.62) HDAC1HDAC3HDAC2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885

“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.