SCHEMBL212577

SCHEMBL212577

Nc1ccccc1NC(=O)c1ccc(Nc2nccc(-c3cccnc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 1.00
HDAC2 Q92769 6/20 0.77
HDAC3 O15379 6/20 0.77
HDAC11 Q96DB2 4/20 0.77
HDAC8 Q9BY41 4/20 0.77
HDAC6 Q9UBN7 4/20 0.77
NCOR1 O75376 3/20 0.77
CYP3A4 P08684 1/20 0.77
NCOR2 Q9Y618 1/20 0.77
ABL1 P00519 10/20 0.75
PDGFRB P09619 8/20 0.75
KDR P35968 4/20 0.75
HDAC4 P56524 3/20 0.75
HDAC7 Q8WUI4 3/20 0.75
HDAC10 Q969S8 3/20 0.75
HDAC9 Q9UKV0 3/20 0.75
HDAC5 Q9UQL6 3/20 0.75
JAK2 O60674 1/20 0.67
BCR P11274 6/20 0.66
ABL2 P42684 1/20 0.66

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
SCHEMBL4086310 0.91 HDAC1 (0.84) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL4084979 0.89 PDGFRB (0.82) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL4077519 0.89 ABL1 (0.84) HDAC1HDAC2HDAC3HDAC11HDAC8
Mocetinostat SCHEMBL157027 0.87 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC11HDAC8
Mocetinostat SCHEMBL29454790 0.87 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC11HDAC8
Mocetinostat SCHEMBL29534132 0.87 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL4087658 0.86 ABL1 (1.00) HDAC1HDAC2HDAC3HDAC11HDAC8
Mocetinostat SCHEMBL29379811 0.86 HDAC1 (0.98) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL4903275 0.85 ABL1 (0.81) HDAC1ABL1PDGFRBJAK2BCR
SCHEMBL4089834 0.84 ABL1 (1.00) HDAC1HDAC2HDAC3HDAC11HDAC8

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-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
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 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
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-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US 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 (3 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885HDAC3 3/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 10/4885HDAC3 4/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 12/4885HDAC3 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.