SCHEMBL1609247

SCHEMBL1609247

O=C(NO)c1ccc2ccn(Cc3ccccn3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.56
HDAC1 Q13547 11/20 0.56
HDAC2 Q92769 9/20 0.56
HDAC8 Q9BY41 9/20 0.56
HDAC3 O15379 7/20 0.56
HDAC10 Q969S8 4/20 0.56
HDAC9 Q9UKV0 4/20 0.56
HDAC11 Q96DB2 4/20 0.56
HDAC4 P56524 4/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
NCOR2 Q9Y618 1/20 0.56
BRD4 O60885 2/20 0.49
DRD4 P21917 1/20 0.47
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL2118850 0.85 HDAC6 (0.54) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL710073 0.85 KDM4E (0.54) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1607548 0.82 HDAC1 (0.46) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1608563 0.82 HDAC6 (0.51) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1608706 0.81 HDAC8 (0.72) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1608175 0.81 HDAC6 (0.58) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1607726 0.80 HDAC6 (0.49) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1608705 0.79 HDAC6 (0.69) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1993113 0.78 HDAC8 (0.71) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL1607764 0.78 HDAC6 (0.60) HDAC6HDAC1HDAC2HDAC8HDAC3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 WO 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 HDAC6 11/4885HDAC1 2/4885HDAC2 7/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885HDAC1 2/4885HDAC2 4/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC1 2/4885HDAC2 7/4885

“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.