SCHEMBL4332549

SCHEMBL4332549

Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.72
HDAC2 Q92769 3/20 0.67
HDAC3 O15379 1/20 0.67

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
SCHEMBL4324575 0.89 HDAC1 (0.68) HDAC1HDAC2HDAC3
SCHEMBL2207647 0.89 HDAC1 (0.80) HDAC1HDAC2HDAC3
SCHEMBL4316268 0.88 HDAC1 (0.66) HDAC1HDAC2HDAC3
SCHEMBL2206760 0.87 HDAC1 (0.74) HDAC1HDAC2HDAC3
SCHEMBL2211918 0.87 HDAC1 (0.74) HDAC1HDAC2
SCHEMBL2209274 0.87 HDAC1 (0.75) HDAC1HDAC2HDAC3
SCHEMBL2210558 0.86 HDAC1 (0.76) HDAC1HDAC2HDAC3
SCHEMBL4506241 0.85 HDAC1 (0.76) HDAC1HDAC2HDAC3
SCHEMBL3776856 0.85 HDAC1 (0.76) HDAC1HDAC2HDAC3
SCHEMBL4313618 0.85 HDAC1 (0.78) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.