SCHEMBL2209801

SCHEMBL2209801

CCOP(=O)(Cc1ccc(C(=O)Nc2nn(-c3ccccc3)cc2N)cc1)OCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
ADORA3 P0DMS8 12/20 0.44
HDAC2 Q92769 1/20 0.42
DGAT1 O75907 2/20 0.41
NPY5R Q15761 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2210398 0.87 HDAC1 (0.46) HDAC1ADORA3HDAC2DGAT1KDM4E
SCHEMBL2210854 0.86 HDAC1 (0.47) HDAC1ADORA3HDAC2DGAT1KDM4E
SCHEMBL2211515 0.83 HDAC1 (0.52) HDAC1ADORA3HDAC2KDM4ELMNA
SCHEMBL2441079 0.82 HDAC1 (0.47) HDAC1ADORA3HDAC2KDM4ELMNA
SCHEMBL13985027 0.80 ADORA3 (0.51) HDAC1ADORA3HDAC2KDM4ELMNA
SCHEMBL4453120 0.80 HDAC1 (0.52) HDAC1ADORA3HDAC2
SCHEMBL2436301 0.79 HDAC1 (0.48) HDAC1ADORA3HDAC2KDM4ELMNA
SCHEMBL4313640 0.78 HDAC1 (0.47) HDAC1ADORA3HDAC2KDM4ELMNA
SCHEMBL2436499 0.78 HDAC1 (0.48) HDAC1ADORA3HDAC2KDM4ELMNA
SCHEMBL2208723 0.78 ADORA3 (0.46) HDAC1ADORA3HDAC2DGAT1

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 4/4885ADORA3 3075/4885HDAC2 8/4885

“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.