SCHEMBL547692

SCHEMBL547692

O=C(O)CCCCCC(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 11/20 0.57
HDAC8 Q9BY41 12/20 0.56
HDAC6 Q9UBN7 10/20 0.56
HDAC3 O15379 9/20 0.56
HDAC1 Q13547 9/20 0.56
HDAC4 P56524 7/20 0.56
HDAC7 Q8WUI4 7/20 0.56
HDAC11 Q96DB2 7/20 0.56
HDAC9 Q9UKV0 7/20 0.56
HDAC5 Q9UQL6 7/20 0.56
HDAC10 Q969S8 6/20 0.56
PPARA Q07869 1/20 0.49
KDM4E B2RXH2 1/20 0.49
BRD4 O60885 1/20 0.49
NCOR1 O75376 1/20 0.49
NR1I2 O75469 1/20 0.49
EGFR P00533 1/20 0.49
CYP3A4 P08684 1/20 0.49
LTA4H P09960 1/20 0.49
NR0B1 P51843 1/20 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
SCHEMBL8200430 0.86 HDAC2 (0.77) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL14264185 0.85 HDAC2 (0.52) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL8363039 0.84 HDAC2 (0.68) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL547643 0.82 ALDH1A1 (0.61) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL8296171 0.79 HDAC2 (0.64) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL14254913 0.79 HDAC1 (0.61) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL14254988 0.79 HDAC1 (0.61) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL1064861 0.78 HDAC4 (0.77) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL312344 0.78 HDAC4 (0.77) HDAC2HDAC8HDAC6HDAC3HDAC1
SCHEMBL8145665 0.77 HDAC2 (0.62) HDAC2HDAC8HDAC6HDAC3HDAC1

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-8110577-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-02-07 US disclosed
US-8110577-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-02-07 US disclosed
US-8110577-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-02-07 US disclosed
US-20100160392-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-06-24 US disclosed
US-20100160392-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-06-24 US disclosed
US-20100160392-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-06-24 US disclosed
EP-2086950-A2 HISTONE DEACETYLASE INHIBITORS Queen Mary and Westfield College (GB) 2009-08-12 EP disclosed
WO-2008047138-A2 HISTONE DEACETYLASE INHIBITORS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-04-24 WO disclosed
WO-2008047138-A2 HISTONE DEACETYLASE INHIBITORS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-04-24 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-20100160392-A1 HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 HDAC2 4/4885HDAC8 6/4885HDAC6 14/4885

“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.