SCHEMBL1064630

SCHEMBL1064630

Nc1ccccc1NC(=O)c1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.74
PTGS1 P23219 2/20 0.69
HDAC3 O15379 6/20 0.68
HDAC2 Q92769 6/20 0.68
NCOR2 Q9Y618 2/20 0.68
MAPK1 P28482 1/20 0.62
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
EPHA2 P29317 1/20 0.54

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
SCHEMBL1754073 0.85 HDAC1 (1.00) HDAC1PTGS1HDAC3HDAC2NCOR2
Tacedinaline SCHEMBL248074 0.84 HDAC1 (0.66) HDAC1PTGS1HDAC3HDAC2NCOR2
SCHEMBL3846828 0.83 PTGS1 (0.58) HDAC1PTGS1HDAC3HDAC2NCOR2
SCHEMBL8401704 0.83 HDAC1 (0.89) HDAC1PTGS1HDAC3HDAC2NCOR2
SCHEMBL676042 0.81 HDAC1 (0.75) HDAC1PTGS1HDAC3HDAC2NCOR2
Tacedinaline SCHEMBL29482198 0.81 HDAC1 (0.74) HDAC1PTGS1HDAC3HDAC2NCOR2
Tacedinaline SCHEMBL144794 0.81 HDAC1 (0.74) HDAC1PTGS1HDAC3HDAC2NCOR2
SCHEMBL1753894 0.81 HDAC1 (1.00) HDAC1PTGS1HDAC3HDAC2NCOR2
SCHEMBL22811714 0.80 HDAC1 (0.73) HDAC1PTGS1HDAC3HDAC2NCOR2
SCHEMBL13390208 0.80 NAMPT (0.56) HDAC1PTGS1HDAC3NCOR2MEN1

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 13 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-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
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-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 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 (2 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885PTGS1 2379/4885HDAC3 3/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885PTGS1 2379/4885HDAC3 3/4885

“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.