SCHEMBL2842918

SCHEMBL2842918

O=CN(O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
SRC P12931 3/20 0.39
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2838106 0.79 ALOX5 (0.53) ALOX5LMNA
SCHEMBL5949584 0.78 ALOX5 (0.53) CYP2D6ALOX5KMT2AMEN1ALDH1A1
SCHEMBL7593804 0.78 ALOX5 (0.53) CYP2D6ALOX5KMT2AMEN1ALDH1A1
SCHEMBL7908361 0.74 MMP2 (0.43) CYP2D6SRCALOX5LMNAKMT2A
SCHEMBL6176307 0.74 MMP2 (0.46) CYP2D6ALOX5LMNAKMT2AMEN1
SCHEMBL8002766 0.73 ALDH1A1 (0.49) CYP2D6LMNAKMT2AMEN1ALDH1A1
SCHEMBL8305232 0.72 SRC (0.42) CYP2D6SRCALOX5LMNAMAPK1
SCHEMBL9575320 0.70 CYP2D6 (0.42) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL22575939 0.69 KDM4E (0.46) ALOX5LMNAKMT2AMEN1ALDH1A1
SCHEMBL8132433 0.67 SCN4A (0.36) CYP2D6LMNAKMT2AMEN1ALDH1A1

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 11 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
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 CYP2D6 986/4885SRC 2547/4885ALOX5 2866/4885

“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.