SCHEMBL1067828

SCHEMBL1067828

O=C(O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.79
HDAC2 Q92769 7/20 0.79
NCOR1 O75376 6/20 0.79
HDAC1 Q13547 6/20 0.79
HDAC6 Q9UBN7 4/20 0.79
HDAC8 Q9BY41 3/20 0.79
HDAC11 Q96DB2 2/20 0.67
CYP3A4 P08684 2/20 0.67
NCOR2 Q9Y618 1/20 0.67
ABL1 P00519 4/20 0.61
PRKCA P17252 3/20 0.61
BCR P11274 2/20 0.61
PRKCD Q05655 2/20 0.55
EGFR P00533 1/20 0.55
CAMK2D Q13557 2/20 0.55
VCP P55072 1/20 0.54
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
MAPK8 P45983 1/20 0.52
PIK3CG P48736 1/20 0.52

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
SCHEMBL27720667 0.90 HDAC3 (0.64) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL29784912 0.89 HDAC3 (0.77) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL1065202 0.87 HDAC3 (0.74) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL13863956 0.87 HDAC3 (0.77) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL27782645 0.86 HDAC3 (0.69) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL210643 0.84 HDAC1 (0.66) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL210190 0.84 ABL1 (0.76) HDAC1ABL1PRKCABCRPRKCD
SCHEMBL19015114 0.84 HDAC3 (0.69) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL4082083 0.83 ABL1 (0.75) HDAC3HDAC2HDAC1HDAC6HDAC8
Hydrochloric Acid SCHEMBL7470853 0.82 ABL1 (0.74) HDAC1ABL1PRKCABCRPRKCD

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
WO-2015006875-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINES METHYLGENE INC. (US) 2015-01-22 WO disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC3 3/4885HDAC2 5/4885NCOR1 126/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC3 3/4885HDAC2 5/4885NCOR1 126/4885

“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.