SCHEMBL2206576

SCHEMBL2206576

CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.55
HDAC2 Q92769 4/20 0.55
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL2209832 0.91 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL31390509 0.90 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3643647 0.90 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3638973 0.90 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12535790 0.89 HDAC1 (0.55) HDAC1HDAC2
SCHEMBL8292313 0.89 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2210043 0.89 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC8
SCHEMBL1931730 0.88 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14155981 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4321444 0.88 HDAC1 (0.62) HDAC1HDAC2

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-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-20110130361-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS GRIMM JONATHAN 2011-06-02 US disclosed
US-20110130361-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS GRIMM JONATHAN 2011-06-02 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
WO-2009020589-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-02-12 WO disclosed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 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-20110130361-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC2 HDAC1 1/4885HDAC2 3/4885HDAC3 10/4885
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN HDAC1 4/4885HDAC2 8/4885HDAC3 17/4885

“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.