SCHEMBL5020619

SCHEMBL5020619

O=C(/C=C/c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 1.00
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 2/20 0.65
GAA P10253 1/20 0.65
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.58
PKM P14618 1/20 0.57
GFER P55789 1/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
NAMPT P43490 1/20 0.54

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
SCHEMBL5020749 0.89 HDAC1 (0.80) HDAC1MEN1KMT2AALDH1A1GAA
SCHEMBL17696037 0.82 MEN1 (0.71) HDAC1MEN1KMT2AALDH1A1GAA
SCHEMBL5047586 0.81 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15480551 0.81 MEN1 (0.73) HDAC1MEN1KMT2AALDH1A1GAA
SCHEMBL808364 0.79 ALDH1A1 (1.00) HDAC1MEN1KMT2AALDH1A1GAA
SCHEMBL30708093 0.78 ALDH1A1 (0.76) HDAC1MEN1KMT2AALDH1A1GAA
SCHEMBL2702246 0.78 ALDH1A1 (0.76) HDAC1MEN1KMT2AALDH1A1GAA
SCHEMBL2690153 0.78 MEN1 (0.66) HDAC1MEN1KMT2AALDH1A1GAA
SCHEMBL18753536 0.77 ALDH1A1 (0.78) HDAC1MEN1KMT2AALDH1A1GAA
SCHEMBL5048456 0.77 HDAC1 (0.66) HDAC1HDAC6HDAC8HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 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 (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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885MEN1 1848/4885KMT2A 36/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885MEN1 1848/4885KMT2A 36/4885

“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.