SCHEMBL1607651

SCHEMBL1607651

COc1cc(Cn2cccc2C=CC(=O)NO)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.53
HDAC2 Q92769 16/20 0.53
HDAC8 Q9BY41 15/20 0.53
HDAC3 O15379 14/20 0.53
HDAC6 Q9UBN7 13/20 0.53
HDAC4 P56524 11/20 0.53
HDAC7 Q8WUI4 11/20 0.53
HDAC10 Q969S8 11/20 0.53
HDAC11 Q96DB2 11/20 0.53
HDAC9 Q9UKV0 11/20 0.53
HDAC5 Q9UQL6 11/20 0.53
BACE1 P56817 1/20 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
SCHEMBL1607645 1.00 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1609137 0.91 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1609134 0.91 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1607826 0.88 HDAC1 (0.55) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1607823 0.88 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.