SCHEMBL211196

SCHEMBL211196

COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.71
HDAC2 Q92769 4/20 0.66
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
HDAC3 O15379 4/20 0.59
NCOR2 Q9Y618 3/20 0.59
KDM4E B2RXH2 2/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL5047260 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5048556 0.80 MEN1 (0.70) HDAC1HDAC2SMN1; SMN2MAPK1ALDH1A1
SCHEMBL1064557 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL27180955 0.78 ALDH1A1 (0.71) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL30926682 0.78 ALDH1A1 (0.71) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL4256762 0.78 HDAC1 (0.82) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4256767 0.78 HDAC1 (0.82) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8628044 0.78 SMN1; SMN2 (0.62) LMNASMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL1060645 0.77 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL5048895 0.77 HDAC1 (1.00) HDAC1HDAC2LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
CN-1997649-B Inhibitors of histone deacetylase METHYLGENE INC 2010-08-11 CN disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
CN-1997649-A Inhibitors of histone deacetylase METHYLGENE INC (CA) 2007-07-11 CN disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 10/4885LMNA 1962/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 12/4885LMNA 1851/4885

“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.