SCHEMBL975670

SCHEMBL975670

O=C(NO)c1nc(-c2ccccc2)oc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC8 Q9BY41 5/20 0.54
IKBKB O14920 1/20 0.50
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NR4A2 P43354 1/20 0.45

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
SCHEMBL4487202 0.83 IKBKB (0.56) IKBKBKDM4EGAAHSD17B10ALDH1A1
SCHEMBL11622118 0.83 KDM4E (0.67) HDAC6HDAC1HDAC8KDM4EGAA
SCHEMBL3124862 0.80 IKBKB (0.71) IKBKBKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7065162 0.79 KDM4E (0.68) IKBKBKDM4EGAAHSD17B10ALDH1A1
SCHEMBL29158575 0.78 TARBP2 (0.47) IKBKBKDM4EGAAHSD17B10ALDH1A1
SCHEMBL7701209 0.77 NPC1 (0.51) IKBKBKDM4EGAAHSD17B10ALDH1A1
SCHEMBL7703233 0.77 KDM4E (0.73) KDM4EGAAHSD17B10ALDH1A1HPGD
SCHEMBL7694070 0.77 KDM4E (0.73) HDAC1KDM4EGAAALDH1A1HPGD
SCHEMBL7695337 0.75 IKBKB (0.55) IKBKBKDM4EGAAHSD17B10ALDH1A1
SCHEMBL3128951 0.75 IKBKB (0.54) IKBKBKDM4EGAAHSD17B10ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC6 10/4885HDAC1 1/4885HDAC8 8/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC6 10/4885HDAC1 1/4885HDAC8 8/4885

“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.