SCHEMBL1064802

SCHEMBL1064802

COc1ccc(C(NC(=O)Nc2ccc(SC)cc2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.54
HDAC2 Q92769 8/20 0.54
HDAC3 O15379 7/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
EPHA2 P29317 1/20 0.50
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
NCOR1 O75376 1/20 0.44
NCOR2 Q9Y618 3/20 0.44

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
SCHEMBL1064794 0.91 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1065397 0.91 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1061919 0.89 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1058482 0.88 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6814017 0.86 NR1H4 (0.44) HDAC1HDAC2MEN1ALDH1A1MAPT
SCHEMBL27900969 0.77 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1064801 0.75 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2475971 0.72 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3053990 0.71 HDAC1 (0.57) HDAC1HDAC2
SCHEMBL8076799 0.71 HDAC1 (0.57) HDAC1HDAC2

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
WO-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 WO claimed
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-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
WO-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 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-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885HDAC3 3/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885HDAC3 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.