SCHEMBL974852

SCHEMBL974852

O=C(NO)c1ccccc1Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.62
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPK8 P45983 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
MMP2 P08253 2/20 0.55
MMP13 P45452 2/20 0.55
MMP3 P08254 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55

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
SCHEMBL25060908 0.85 HDAC8 (0.57) CTNNB1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL3650651 0.84 MEN1 (0.69) CTNNB1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL6846935 0.84 RAB9A (0.63) CTNNB1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL27674044 0.84 CTNNB1 (0.61) CTNNB1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL25060922 0.83 HDAC8 (0.51) CTNNB1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL10045694 0.82 CAMK2A (0.50) CTNNB1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL12376719 0.81 NPSR1 (0.60) CTNNB1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL27517198 0.81 RAB9A (0.60) CTNNB1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL12608271 0.81 CTNNB1 (0.57) CTNNB1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL1798 0.80 CTNNB1 (0.71) CTNNB1RAB9AL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US claimed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP claimed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO claimed
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 CTNNB1 2451/4885RAB9A 2879/4885L3MBTL1 610/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CTNNB1 2451/4885RAB9A 2879/4885L3MBTL1 610/4885

“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.