SCHEMBL2209809

SCHEMBL2209809

CC(c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)[PH](=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.68
HDAC1 Q13547 18/20 0.67
HDAC2 Q92769 9/20 0.67
HDAC3 O15379 4/20 0.67
HDAC4 P56524 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66

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
SCHEMBL8239728 0.88 HDAC1 (0.74) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4521597 0.87 HDAC1 (0.73) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2206747 0.87 KCNH2 (0.68) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2206261 0.85 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2207045 0.85 KCNH2 (0.67) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2211783 0.85 KCNH2 (0.67) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4587728 0.84 HDAC1 (0.70) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2211090 0.84 HDAC1 (0.69) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL1689417 0.84 HDAC1 (0.74) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2209353 0.84 KCNH2 (0.61) KCNH2HDAC1HDAC2HDAC3HDAC4

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-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-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 KCNH2 2991/4885HDAC1 4/4885HDAC2 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.