SCHEMBL5049402

SCHEMBL5049402

O=C(NO)c1ccc(NS(=O)(=O)c2cc3ccccc3s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.67
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
HDAC6 Q9UBN7 6/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
KIT P10721 1/20 0.47
CCR2 P41597 1/20 0.46
CA2 P00918 1/20 0.46
GHSR Q92847 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
SCHEMBL16756206 0.82 HDAC1 (0.62) HDAC1MEN1KMT2ALMNAKIT
SCHEMBL8242509 0.81 HDAC1 (0.64) HDAC1MEN1KMT2AHDAC6HDAC8
SCHEMBL8242303 0.81 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL2409438 0.80 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL8275424 0.79 HDAC1 (0.64) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL5048183 0.79 HDAC1 (0.60) HDAC1HDAC8KITCCR2CA2
SCHEMBL14419007 0.78 HDAC1 (0.79) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL788023 0.77 PFKFB3 (0.58) HDAC1MEN1KMT2AMAPTGHSR
SCHEMBL5047130 0.76 HDAC1 (0.56) HDAC1KMT2ALMNAHDAC8KIT
SCHEMBL9996977 0.75 PFKFB3 (0.60) HDAC1MEN1KMT2AKITCA2

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-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-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-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.