SCHEMBL3645773

SCHEMBL3645773

Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)C2CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC3 O15379 1/20 0.70
HDAC2 Q92769 1/20 0.70

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
SCHEMBL3641353 0.96 HDAC1 (1.00) HDAC1HDAC3HDAC2
SCHEMBL3647105 0.96 HDAC1 (1.00) HDAC1HDAC3HDAC2
SCHEMBL3638606 0.95 HDAC1 (1.00) HDAC1HDAC3HDAC2
SCHEMBL3771860 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC2
SCHEMBL3643944 0.87 HDAC1 (0.86) HDAC1HDAC3HDAC2
SCHEMBL3642405 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC2
SCHEMBL3641891 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC2
SCHEMBL3639302 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC2
SCHEMBL3644987 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC2
SCHEMBL4314772 0.83 HDAC1 (1.00) HDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137690-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US claimed
US-20100324046-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME LLC 2010-12-23 US claimed
EP-3103791-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-12-14 EP disclosed
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
EP-2170076-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2009002495-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-12-31 WO 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 5/4885HDAC3 4/4885HDAC2 6/4885
US-20100324046-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS BRDT, HDAC4, HDAC5 HDAC1 5/4885HDAC3 4/4885HDAC2 6/4885

“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.