SCHEMBL1607768

SCHEMBL1607768

O=C(/C=C/c1cccn1Cc1ccc(F)cc1)NO

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 16/20 0.60
HDAC3 O15379 15/20 0.60
HDAC1 Q13547 15/20 0.60
HDAC7 Q8WUI4 15/20 0.60
HDAC2 Q92769 15/20 0.60
HDAC10 Q969S8 15/20 0.60
HDAC11 Q96DB2 15/20 0.60
HDAC8 Q9BY41 15/20 0.60
HDAC6 Q9UBN7 15/20 0.60
HDAC9 Q9UKV0 15/20 0.60
HDAC5 Q9UQL6 15/20 0.60
MEF2D Q14814 1/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
POLB P06746 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL1607771 1.00 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1608228 0.91 HDAC1 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1608231 0.91 HDAC1 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1608507 0.90 HDAC6 (0.58) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1608509 0.90 HDAC6 (0.58) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1608728 0.89 HDAC6 (0.59) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1608727 0.89 HDAC6 (0.59) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1608832 0.88 HDAC4 (0.57) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1608834 0.88 HDAC4 (0.57) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1608640 0.85 HDAC8 (0.54) HDAC4HDAC3HDAC1HDAC7HDAC2

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 HDAC4 8/4885HDAC3 9/4885HDAC1 2/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC4 10/4885HDAC3 9/4885HDAC1 2/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC4 8/4885HDAC3 9/4885HDAC1 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.