SCHEMBL211107

SCHEMBL211107

Nc1ccccc1NC(=O)c1ccc(CO)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.70
HDAC3 O15379 10/20 0.70
HDAC2 Q92769 10/20 0.70
MAPK1 P28482 1/20 0.70
NCOR2 Q9Y618 3/20 0.68
PTGS1 P23219 1/20 0.63
HDAC4 P56524 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC8 Q9BY41 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
NCOR1 O75376 1/20 0.61

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
SCHEMBL8401704 0.88 HDAC1 (0.89) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL4715033 0.87 HDAC1 (0.70) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL211677 0.87 HDAC1 (0.76) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL8470457 0.86 HDAC1 (0.68) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL2733350 0.86 HDAC1 (0.80) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL2732292 0.86 HDAC1 (0.70) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL19609252 0.85 HDAC1 (0.66) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL13673733 0.85 MAPT (0.54) HDAC1HDAC3HDAC2MAPK1NCOR2
Dinaline SCHEMBL27308145 0.84 HDAC1 (0.70) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL14473033 0.83 HDAC1 (0.68) HDAC1HDAC3HDAC2MAPK1NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848454-A Histone deacetylase 6 inhibitor and preparation method and application thereof 山东大学 2020-10-30 CN claimed
WO-2024123929-A1 DEVELOPMENT OF POTENT DUAL HDAC/BRD4 INHIBITORS BIOVENTURES, LLC (US) 2024-06-13 WO disclosed
CN-111848454-B Histone deacetylase 6 inhibitor and preparation method and application thereof 山东大学 2021-05-07 CN disclosed
CN-111848454-A Histone deacetylase 6 inhibitor and preparation method and application thereof 山东大学 2020-10-30 CN disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
CN-1997649-B Inhibitors of histone deacetylase METHYLGENE INC 2010-08-11 CN disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
WO-2007084390-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-07-26 WO disclosed
CN-1997649-A Inhibitors of histone deacetylase METHYLGENE INC (CA) 2007-07-11 CN disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC3 4/4885HDAC2 10/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC3 5/4885HDAC2 12/4885

“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.