SCHEMBL209710

SCHEMBL209710

Cn1cc(-c2ccnc(NCc3ccc(C(=O)O)cc3)n2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
VCP P55072 1/20 0.46
HDAC1 Q13547 11/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC3 O15379 4/20 0.46
HDAC6 Q9UBN7 3/20 0.46
NCOR1 O75376 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
KDM4E B2RXH2 2/20 0.44
KDM4A O75164 2/20 0.44
KDM5C P41229 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
KDM3A Q9Y4C1 2/20 0.44
CAMK2D Q13557 2/20 0.42
BRD4 O60885 2/20 0.41
CYP3A4 P08684 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
KDM6B O15054 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
SCHEMBL209499 0.82 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC6NCOR1
SCHEMBL213490 0.80 HDAC1 (0.47) MKNK1VCPHDAC1HDAC2HDAC3
SCHEMBL211964 0.78 GPR39 (0.54) VCPHDAC1HDAC2HDAC3HDAC6
SCHEMBL210643 0.77 HDAC1 (0.66) VCPHDAC1HDAC2HDAC3HDAC6
SCHEMBL16408476 0.76 VCP (0.59) VCPHDAC1HDAC2HDAC3HDAC6
SCHEMBL1067828 0.74 HDAC3 (0.79) MKNK1VCPHDAC1HDAC2HDAC3
SCHEMBL27589595 0.74 CDK2 (0.54) VCPHDAC1HDAC2HDAC3HDAC6
SCHEMBL209801 0.73 HDAC1 (0.68) VCPHDAC1HDAC2HDAC3HDAC6
SCHEMBL2733463 0.73 HDAC1 (0.59) VCPHDAC1HDAC2HDAC3HDAC6
SCHEMBL16397614 0.72 KMT2A (0.60) VCPHDAC1HDAC2HDAC3HDAC6

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 10 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-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
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US 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 MKNK1 518/4885VCP 3412/4885HDAC1 1/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MKNK1 937/4885VCP 3324/4885HDAC1 1/4885

“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.