SCHEMBL1608640

SCHEMBL1608640

O=C(C=Cc1cccn1Cc1ccc(Cl)c(Cl)c1)NO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 15/20 0.54
HDAC1 Q13547 14/20 0.54
HDAC6 Q9UBN7 13/20 0.54
HDAC3 O15379 12/20 0.54
HDAC4 P56524 12/20 0.54
HDAC7 Q8WUI4 12/20 0.54
HDAC2 Q92769 12/20 0.54
HDAC10 Q969S8 12/20 0.54
HDAC11 Q96DB2 12/20 0.54
HDAC5 Q9UQL6 12/20 0.54
HDAC9 Q9UKV0 11/20 0.54
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGER3 P43115 1/20 0.44
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL1608638 1.00 HDAC8 (0.54) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1608509 0.87 HDAC6 (0.58) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1608507 0.87 HDAC6 (0.58) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1607554 0.86 HDAC4 (0.56) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1607551 0.86 HDAC4 (0.56) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1607823 0.86 HDAC1 (0.55) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1607826 0.86 HDAC1 (0.55) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1608231 0.85 HDAC1 (0.60) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1607768 0.85 HDAC4 (0.60) HDAC8HDAC1HDAC6HDAC3HDAC4
SCHEMBL1607771 0.85 HDAC4 (0.60) HDAC8HDAC1HDAC6HDAC3HDAC4

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 HDAC8 1/4885HDAC1 2/4885HDAC6 11/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC8 1/4885HDAC1 2/4885HDAC6 11/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC8 1/4885HDAC1 2/4885HDAC6 11/4885

“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.