SCHEMBL1609137

SCHEMBL1609137

COc1ccc(Cn2cccc2C=CC(=O)NO)cc1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.53
HDAC2 Q92769 15/20 0.53
HDAC8 Q9BY41 14/20 0.53
HDAC3 O15379 13/20 0.53
HDAC6 Q9UBN7 12/20 0.53
HDAC4 P56524 10/20 0.53
HDAC7 Q8WUI4 10/20 0.53
HDAC10 Q969S8 10/20 0.53
HDAC11 Q96DB2 10/20 0.53
HDAC9 Q9UKV0 10/20 0.53
HDAC5 Q9UQL6 10/20 0.53
DBH P09172 1/20 0.46

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
SCHEMBL1609134 1.00 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1607651 0.91 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1607645 0.91 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1607826 0.86 HDAC1 (0.55) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1607823 0.86 HDAC1 (0.55) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1608278 0.83 HDAC3 (0.75) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1608277 0.83 HDAC3 (0.75) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1608131 0.82 HDAC8 (0.75) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1608134 0.82 HDAC8 (0.75) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1609114 0.81 HDAC3 (0.58) HDAC1HDAC2HDAC8HDAC3HDAC6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265590-B1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC (US) 2016-04-13 EP disclosed
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 US 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC1 2/4885HDAC2 7/4885HDAC8 1/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC1 2/4885HDAC2 4/4885HDAC8 1/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC1 2/4885HDAC2 7/4885HDAC8 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.