SCHEMBL974545

SCHEMBL974545

O=C(NO)c1sc2ccc(NS(=O)(=O)c3ccccc3)cc2c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.57
BRD4 O60885 1/20 0.46
HDAC8 Q9BY41 8/20 0.45
HDAC2 Q92769 7/20 0.45
HDAC6 Q9UBN7 7/20 0.45
SERPINE1 P05121 2/20 0.45
PRSS12 P56730 1/20 0.45
HDAC3 O15379 6/20 0.44
HDAC4 P56524 6/20 0.44
HDAC7 Q8WUI4 6/20 0.44
HDAC10 Q969S8 6/20 0.44
HDAC11 Q96DB2 6/20 0.44
HDAC9 Q9UKV0 6/20 0.44
HDAC5 Q9UQL6 6/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL975822 0.91 BRD4 (0.52) HDAC1BRD4HDAC4MEN1KMT2A
SCHEMBL1082274 0.86 BRD4 (0.50) HDAC1BRD4MEN1KMT2AGAA
SCHEMBL978418 0.84 HDAC1 (0.59) HDAC1BRD4KMT2A
SCHEMBL3984770 0.80 SERPINE1 (0.58) HDAC1BRD4HDAC8HDAC6SERPINE1
SCHEMBL4087564 0.78 SERPINE1 (0.51) BRD4HDAC8HDAC6SERPINE1HDAC3
SCHEMBL3979859 0.77 ALDH1A1 (0.51) BRD4HDAC8HDAC6SERPINE1PRSS12
SCHEMBL3982480 0.77 SERPINE1 (0.51) BRD4HDAC8HDAC6SERPINE1HDAC3
SCHEMBL3983520 0.77 SERPINE1 (0.48) BRD4HDAC8HDAC6SERPINE1HDAC3
SCHEMBL3980708 0.77 SERPINE1 (0.52) HDAC1BRD4HDAC8HDAC6SERPINE1
SCHEMBL14079336 0.77 SERPINE1 (0.50) BRD4HDAC8HDAC6SERPINE1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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 (2 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC1 1/4885BRD4 683/4885HDAC8 8/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC1 1/4885BRD4 683/4885HDAC8 8/4885

“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.