SCHEMBL2880324

SCHEMBL2880324

COC(=O)C(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 4/20 0.50
SLC6A3 Q01959 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2874789 0.94 SLC6A3 (0.52) KMT2AMEN1CNR1CNR2MAPT
SCHEMBL29299764 0.85 MAPT (0.56) KMT2AMEN1CNR1CNR2MAPT
SCHEMBL1578804 0.83 KMT2A (0.69) KMT2AALDH1A1
SCHEMBL6435135 0.82 ALDH1A1 (0.46) KMT2AMEN1CNR1CNR2MAPT
SCHEMBL6432711 0.82 ALDH1A1 (0.46) KMT2AMEN1CNR1CNR2MAPT
SCHEMBL7461766 0.82 KMT2A (0.43) KMT2AMEN1CNR1CNR2MAPT
SCHEMBL19667923 0.82 KMT2A (0.60) KMT2AMEN1CNR1CNR2MAPT
SCHEMBL3529478 0.80 SLC6A3 (0.56) KMT2AMEN1MAPTALDH1A1SLC6A3
SCHEMBL7981607 0.79 L3MBTL1 (0.54) KMT2AMEN1CNR1CNR2MAPT
SCHEMBL18936896 0.79 ALDH1A1 (0.47) KMT2AMEN1CNR1CNR2MAPT

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
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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 (1 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 KMT2A 58/4885MEN1 1925/4885CNR1 3389/4885

“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.