SCHEMBL8200430

SCHEMBL8200430

O=C(CCCCCC(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)NO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 14/20 0.77
HDAC8 Q9BY41 11/20 0.69
HDAC1 Q13547 10/20 0.69
HDAC6 Q9UBN7 10/20 0.69
HDAC3 O15379 9/20 0.69
HDAC4 P56524 7/20 0.69
HDAC7 Q8WUI4 7/20 0.69
HDAC11 Q96DB2 7/20 0.69
HDAC9 Q9UKV0 7/20 0.69
HDAC5 Q9UQL6 7/20 0.69
HDAC10 Q969S8 6/20 0.69
KDM4E B2RXH2 1/20 0.69
BRD4 O60885 1/20 0.69
NCOR1 O75376 1/20 0.69
NR1I2 O75469 1/20 0.69
EGFR P00533 1/20 0.69
CYP3A4 P08684 1/20 0.69
LTA4H P09960 1/20 0.69
NR0B1 P51843 1/20 0.69
PLK1 P53350 1/20 0.69

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
SCHEMBL8144564 0.87 HDAC2 (1.00) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL8152490 0.87 HDAC2 (1.00) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL547692 0.86 HDAC2 (0.57) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL13524771 0.86 HDAC2 (0.73) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL13531021 0.86 HDAC2 (0.73) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL8271255 0.86 HDAC2 (0.73) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL3242251 0.85 HDAC2 (0.97) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL23055010 0.82 HDAC1 (1.00) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL8261596 0.82 HDAC1 (1.00) HDAC2HDAC8HDAC1HDAC6HDAC3
SCHEMBL19754407 0.82 HDAC1 (1.00) HDAC2HDAC8HDAC1HDAC6HDAC3

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 14 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
EP-1443928-B1 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN KETTERING INST CANCER (US) 2011-07-27 EP disclosed
EP-2269609-A2 Treatment of neurodegenerative diseases and cancer of the brain with SAHA Sloan-Kettering Institute for Cancer Research (US) 2011-01-05 EP 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
WO-2008047138-A2 HISTONE DEACETYLASE INHIBITORS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-04-24 WO disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 US disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 US disclosed
WO-2003032921-A2 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-04-24 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 (3 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-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC2 13/4885HDAC8 17/4885HDAC1 3/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC2 13/4885HDAC8 17/4885HDAC1 3/4885
US-20100160392-A1 HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 HDAC2 4/4885HDAC8 6/4885HDAC1 2/4885

“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.