SCHEMBL1067258

SCHEMBL1067258

O=C(O)N(c1ccc(-c2cccs2)cc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.40
ERN1 O75460 2/20 0.39
LTA4H P09960 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
FFAR1 O14842 1/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
PTGES O14684 1/20 0.38
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP2 P08253 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL978403 0.80 GPR119 (0.43) HDAC2ABL1BCRHDAC3HDAC1
SCHEMBL976916 0.75 LTA4H (0.47) HDAC2LTA4HPPARGPPARAPTPN22
SCHEMBL175271 0.75 ALDH1A1 (0.44) KDM4E
Acetic Acid SCHEMBL1333508 0.73 MAPT (0.51) HDAC2ERN1HDAC3HDAC1KDM4E
SCHEMBL31194266 0.73 MEN1 (0.57) ERN1LTA4H
SCHEMBL1285054 0.71 APP (0.60) ERN1LTA4H
SCHEMBL1067678 0.70 PDE7A (0.39)
SCHEMBL8014120 0.69 LTA4H (0.55) HDAC2ERN1LTA4HABL1BCR
SCHEMBL2344484 0.69 LTA4H (0.55) HDAC2ERN1LTA4HABL1BCR
SCHEMBL14253104 0.69 LTA4H (0.50) HDAC2ERN1LTA4HPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2367599-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY Massachusetts Institute of Technology (US) 2011-09-28 EP disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
WO-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 WO disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP 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
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO 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-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 HDAC2 5/4885ERN1 1510/4885LTA4H 2521/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC2 5/4885ERN1 1510/4885LTA4H 2521/4885

“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.