SCHEMBL4323560

SCHEMBL4323560

[CH2]OC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.85
HDAC2 Q92769 4/20 0.85
HDAC3 O15379 1/20 0.71
HDAC8 Q9BY41 1/20 0.71

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
SCHEMBL4323563 0.92 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL8101991 0.89 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3645080 0.89 HDAC1 (0.86) HDAC1HDAC2HDAC3
SCHEMBL13060584 0.89 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL8106160 0.89 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3642404 0.88 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3646210 0.88 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL8092517 0.88 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2206679 0.88 HDAC1 (0.80) HDAC1HDAC2HDAC3HDAC8
SCHEMBL8100188 0.88 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009544611-A 2009-12-17 JP 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.