SCHEMBL3642231

SCHEMBL3642231

O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 1.00
HIF1A Q16665 2/20 0.65
EPAS1 Q99814 2/20 0.65
RAB9A P51151 1/20 0.61
HDAC2 Q92769 1/20 0.60

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
SCHEMBL4579730 0.88 HDAC1 (0.79) HDAC1HIF1AEPAS1RAB9AHDAC2
SCHEMBL3637331 0.87 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL3642229 0.87 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL4578855 0.86 HDAC1 (0.75) HDAC1HIF1AEPAS1RAB9A
SCHEMBL3643428 0.85 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL3643330 0.85 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL3685031 0.82 HDAC1 (1.00) HDAC1
SCHEMBL4578900 0.82 HDAC1 (0.70) HDAC1HIF1AEPAS1RAB9AHDAC2
SCHEMBL8095845 0.80 HDAC1 (0.76) HDAC1
SCHEMBL4579920 0.80 HDAC1 (0.67) HDAC1HIF1AEPAS1RAB9AHDAC2

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 19 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-2170076-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-04-07 EP claimed
WO-2009002495-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-12-31 WO 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-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-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-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
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 5/4885HIF1A 1400/4885EPAS1 1705/4885
US-20100324046-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS BRDT, HDAC4, HDAC5 HDAC1 5/4885HIF1A 1400/4885EPAS1 1705/4885

“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.