SCHEMBL8293266

SCHEMBL8293266

COc1ccc(C(=O)Nc2cc(-c3csc(NC(=O)OC(C)(C)C)n3)ccc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
ADORA3 P0DMS8 2/20 0.56
KDM4E B2RXH2 4/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NCOR2 Q9Y618 1/20 0.49
MEN1 O00255 5/20 0.49

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
SCHEMBL1067325 0.88 ADORA3 (0.64) HDAC2HDAC3HDAC1HDAC10HDAC6
SCHEMBL8293265 0.86 KDM4E (0.53) ADORA3KDM4ERAB9AMAPK1ALDH1A1
SCHEMBL1064980 0.84 HDAC2 (0.65) HDAC2HDAC3HDAC1HDAC10HDAC6
SCHEMBL8293253 0.79 HDAC2 (0.58) HDAC2HDAC3HDAC1HDAC10HDAC6
SCHEMBL18455325 0.77 ADORA3 (0.67) ADORA3KDM4ERAB9AMAPK1ALDH1A1
SCHEMBL7472746 0.76 RAB9A (0.50) HDAC2HDAC3HDAC1HDAC10HDAC6
SCHEMBL12933399 0.75 HDAC2 (0.87) HDAC2HDAC3HDAC1HDAC10HDAC6
SCHEMBL2753867 0.74 ADORA3 (0.80) ADORA3KDM4ERAB9AMAPK1ALDH1A1
SCHEMBL1066986 0.74 HDAC2 (0.76) HDAC2HDAC3HDAC1HDAC10HDAC6
SCHEMBL24624831 0.74 ABL1 (0.50) HDAC2HDAC3HDAC1HDAC10HDAC6

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 5 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
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 HDAC2 5/4885HDAC3 3/4885HDAC1 1/4885

“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.