SCHEMBL213490

SCHEMBL213490

Cn1nncc1-c1ccnc(NCc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 3/20 0.47
NCOR1 O75376 3/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
VCP P55072 1/20 0.45
MKNK1 Q9BUB5 1/20 0.43
IDH1 O75874 1/20 0.42
CYP3A4 P08684 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
FLT3 P36888 1/20 0.41
CAMK2D Q13557 2/20 0.40
VNN1 O95497 1/20 0.40

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
SCHEMBL209710 0.80 MKNK1 (0.47) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL210643 0.75 HDAC1 (0.66) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL27928215 0.75 HDAC1 (0.52) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL1067828 0.74 HDAC3 (0.79) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL16408476 0.74 VCP (0.59) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL211964 0.74 GPR39 (0.54) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL209801 0.73 HDAC1 (0.68) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL2733463 0.73 HDAC1 (0.59) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL209589 0.72 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL27589595 0.72 CDK2 (0.54) HDAC1HDAC2HDAC3NCOR1HDAC8

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 14 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
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-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

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 1/4885HDAC2 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.