SCHEMBL2209245

SCHEMBL2209245

CCOP(=O)(O)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC2 Q92769 4/20 0.74
HDAC3 O15379 1/20 0.74
HDAC8 Q9BY41 1/20 0.74

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
SCHEMBL2211681 0.92 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2209272 0.91 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2206390 0.91 HDAC1 (0.84) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2212087 0.91 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL4419353 0.90 HDAC1 (0.91) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2207398 0.89 HDAC1 (0.80) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2206749 0.88 HDAC1 (0.83) HDAC1HDAC2
SCHEMBL2206013 0.88 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2209268 0.88 HDAC1 (0.84) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2209817 0.88 HDAC1 (0.80) HDAC1HDAC2HDAC3

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 13 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 claimed
JP-2009544611-A 2009-12-17 JP claimed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US claimed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP claimed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 WO claimed
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-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-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 (1 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-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.