SCHEMBL1608231

SCHEMBL1608231

O=C(C=Cc1cccn1Cc1ccccc1)NO

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.60
HDAC8 Q9BY41 17/20 0.60
HDAC3 O15379 16/20 0.60
HDAC2 Q92769 16/20 0.60
HDAC6 Q9UBN7 16/20 0.60
HDAC4 P56524 15/20 0.60
HDAC7 Q8WUI4 14/20 0.60
HDAC9 Q9UKV0 14/20 0.60
HDAC5 Q9UQL6 14/20 0.60
HDAC10 Q969S8 13/20 0.60
HDAC11 Q96DB2 13/20 0.60
KCNH2 Q12809 1/20 0.49

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
SCHEMBL1608228 1.00 HDAC1 (0.60) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL1607768 0.91 HDAC4 (0.60) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL1607771 0.91 HDAC4 (0.60) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL1608509 0.90 HDAC6 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL1608507 0.90 HDAC6 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL1608727 0.89 HDAC6 (0.59) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL1608728 0.89 HDAC6 (0.59) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL1607554 0.87 HDAC4 (0.56) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL1607551 0.87 HDAC4 (0.56) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL1608661 0.86 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC2HDAC6

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 2/4885HDAC8 1/4885HDAC3 9/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC1 2/4885HDAC8 1/4885HDAC3 9/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC1 2/4885HDAC8 1/4885HDAC3 9/4885

“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.