SCHEMBL1608346

SCHEMBL1608346

O=C(NO)c1ccc2ccn(Cc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.74
HDAC8 Q9BY41 12/20 0.74
HDAC1 Q13547 11/20 0.74
HDAC2 Q92769 10/20 0.74
HDAC3 O15379 9/20 0.74
HDAC10 Q969S8 5/20 0.74
HDAC11 Q96DB2 3/20 0.74
HDAC9 Q9UKV0 3/20 0.74
HDAC4 P56524 2/20 0.74
HDAC7 Q8WUI4 2/20 0.74
HDAC5 Q9UQL6 1/20 0.74
NCOR2 Q9Y618 1/20 0.74
TRPV1 Q8NER1 2/20 0.55
GCGR P47871 2/20 0.54
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 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
SCHEMBL4178493 0.88 HDAC8 (0.59) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL6085744 0.88 HDAC8 (0.62) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL4248021 0.87 HDAC8 (0.55) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL2619245 0.86 HDAC6 (0.55) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1608763 0.85 HDAC6 (1.00) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL30014115 0.85 HDAC6 (1.00) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1993513 0.84 HDAC6 (0.74) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1608480 0.83 HDAC6 (0.72) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL23590244 0.82 HDAC6 (0.74) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1608483 0.82 HDAC8 (0.74) HDAC6HDAC8HDAC1HDAC2HDAC3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371281-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS LLC (US) 2016-06-21 US claimed
US-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2015-10-22 US claimed
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS LLC 2015-02-05 US claimed
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2013-03-28 US claimed
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2011-06-23 US claimed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 US claimed
US-9371281-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS LLC (US) 2016-06-21 US disclosed
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2015-10-22 US disclosed
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS LLC 2015-02-05 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-8900565-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-02 US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 US disclosed
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2013-03-28 US disclosed
US-8338416-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYLICS, INC. (US) 2012-12-25 US disclosed
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2011-06-23 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 US disclosed
US-7820711-B2 Uses of selective inhibitors of HDAC8 for treatment of T-cell proliferative disorders PHARMACYCLICS INC. (US) 2010-10-26 US disclosed
US-20080112889-A1 Uses of Selective Inhibitors of HDAC8 for Treatment of T-Cell Proliferative Disorders PHARMACYCLICS, INC. (US) 2008-05-15 US disclosed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 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 (9 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-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC6 10/4885HDAC8 1/4885HDAC1 2/4885
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC8 1/4885HDAC1 2/4885
US-20080112889-A1 Uses of Selective Inhibitors of HDAC8 for Treatment of T-Cell Proliferative Disorders HDAC8, HDAC5, HDAC7 HDAC6 12/4885HDAC8 1/4885HDAC1 4/4885
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HDAC6 9/4885HDAC8 1/4885HDAC1 5/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC6 10/4885HDAC8 1/4885HDAC1 2/4885
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HDAC6 9/4885HDAC8 1/4885HDAC1 5/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885HDAC8 1/4885HDAC1 2/4885
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HDAC6 9/4885HDAC8 1/4885HDAC1 5/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC8 1/4885HDAC1 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.