SCHEMBL8113125

SCHEMBL8113125

CN1CCC(CNCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00

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
SCHEMBL3641523 0.88 HDAC1 (1.00) HDAC1
SCHEMBL3642883 0.88 HDAC1 (1.00) HDAC1
SCHEMBL13060567 0.84 HDAC1 (0.86) HDAC1
SCHEMBL3647085 0.82 HDAC1 (1.00) HDAC1
SCHEMBL3647121 0.79 HDAC1 (1.00) HDAC1
SCHEMBL3642943 0.78 HDAC1 (0.76) HDAC1
SCHEMBL3642229 0.78 HDAC1 (1.00) HDAC1
SCHEMBL3642267 0.78 HDAC1 (1.00) HDAC1
SCHEMBL3644741 0.78 HDAC1 (1.00) HDAC1
SCHEMBL3643650 0.78 HDAC1 (1.00) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3103791-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-12-14 EP disclosed
US-9096559-B2 4-carboxybenzylamino derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
US-9096559-B2 4-carboxybenzylamino derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
US-20130137690-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
US-20130137690-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
US-8389553-B2 4-carboxybenzylamino derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-03-05 US disclosed
US-8389553-B2 4-carboxybenzylamino derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-03-05 US disclosed
US-20100324046-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME LLC 2010-12-23 US disclosed
US-20100324046-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME LLC 2010-12-23 US disclosed
WO-2009002495-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-12-31 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 (2 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-20130137690-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS BRDT, HDAC4, HDAC5 HDAC1 5/4885
US-20100324046-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS BRDT, HDAC4, HDAC5 HDAC1 5/4885

“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.