SCHEMBL210643

SCHEMBL210643

O=C(O)c1ccc(CNc2nccc(-c3cnccn3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.66
HDAC3 O15379 7/20 0.57
HDAC2 Q92769 6/20 0.57
NCOR1 O75376 6/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC8 Q9BY41 2/20 0.57
CYP3A4 P08684 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
CAMK2D Q13557 3/20 0.49
VCP P55072 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
PRKCA P17252 1/20 0.45
VNN1 O95497 2/20 0.44
MAPK8 P45983 1/20 0.42
PIK3CG P48736 1/20 0.42
GSK3B P49841 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42

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
SCHEMBL1067828 0.84 HDAC3 (0.79) HDAC1HDAC3HDAC2NCOR1HDAC6
SCHEMBL211964 0.84 GPR39 (0.54) HDAC1HDAC3HDAC2NCOR1HDAC6
SCHEMBL3949136 0.83 CAMK2D (0.66) CAMK2DABL1BCRPRKCAMAPK8
SCHEMBL211361 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR1HDAC6
SCHEMBL2733463 0.78 HDAC1 (0.59) HDAC1HDAC3HDAC2NCOR1HDAC6
SCHEMBL209710 0.77 MKNK1 (0.47) HDAC1HDAC3HDAC2NCOR1HDAC6
SCHEMBL209589 0.77 HDAC1 (0.69) HDAC1HDAC3HDAC2NCOR1HDAC6
SCHEMBL16408476 0.76 VCP (0.59) HDAC1HDAC3HDAC2NCOR1HDAC6
SCHEMBL209801 0.75 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR1HDAC6
SCHEMBL213490 0.75 HDAC1 (0.47) HDAC1HDAC3HDAC2NCOR1HDAC6

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 4 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-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-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 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.