SCHEMBL1608382

SCHEMBL1608382

O=C(NO)c1cc2c(ccn2Cc2cccs2)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
PPARG P37231 1/20 0.41
LMNA P02545 6/20 0.40
MAPT P10636 5/20 0.40
HDAC8 Q9BY41 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1607598 0.81 HDAC6 (0.53) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1608325 0.80 HDAC6 (0.46) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1608210 0.80 HDAC6 (0.57) HDAC6HDAC1HDAC2HDAC3PPARG
SCHEMBL1608623 0.80 JAK1 (0.44) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1608324 0.79 HDAC6 (0.42) HDAC6HDAC1HDAC2HDAC3LMNA
SCHEMBL1607548 0.78 HDAC1 (0.46) HDAC6HDAC1HDAC2HDAC3PPARG
SCHEMBL3431726 0.78 HDAC6 (0.57) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1607822 0.77 HDAC2 (0.47) HDAC6HDAC1HDAC2HDAC3PPARG
SCHEMBL1609002 0.77 FLT1 (0.46) HDAC6HDAC1HDAC2HDAC3PPARG
SCHEMBL1608086 0.77 HDAC6 (0.46) HDAC6HDAC1HDAC2HDAC3LMNA

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.