SCHEMBL247043

SCHEMBL247043

COc1ccc(-c2ccn(-c3ccc(O)c([N+](=O)[O-])c3)c2-c2ccc(C(N)=O)cc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
HTR7 P34969 1/20 0.39
MAPKAPK2 P49137 3/20 0.39
PTPN11 Q06124 2/20 0.38
GFER P55789 2/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
CHEK2 O96017 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RAF1 P04049 1/20 0.35
MAPK1 P28482 1/20 0.35
PAX8 Q06710 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAP4K4 O95819 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
SCHEMBL12540744 0.90 MAPT (0.45) MAPTHTR7MAPKAPK2PTPN11GFER
SCHEMBL245902 0.85 MAPKAPK2 (0.41) MAPKAPK2PLAUPLATCHEK2MAP4K4
SCHEMBL249222 0.85 SMN1; SMN2 (0.41) MAPKAPK2PTPN11PLAUPLATCHEK2
SCHEMBL245309 0.83 SMN1; SMN2 (0.41) MAPKAPK2PLAUPLATCHEK2
SCHEMBL244225 0.83 CA9 (0.46) MAPKAPK2
SCHEMBL242923 0.82 PTPN11 (0.46) MAPKAPK2PTPN11PLAUPLATCHEK2
SCHEMBL245768 0.82 MAPKAPK2 (0.45) MAPTMAPKAPK2PTPN11PLAUPLAT
SCHEMBL242470 0.80 PLAU (0.40) MAPKAPK2PLAUPLATCHEK2MAP4K4
SCHEMBL244774 0.79 SMN1; SMN2 (0.41) MAPTMAPKAPK2PTPN11PLAUPLAT
SCHEMBL242932 0.79 SMN1; SMN2 (0.41) MAPKAPK2PTPN11PLAUPLATCHEK2

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-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US claimed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US claimed
US-8642628-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-04 US claimed
EP-2315590-B1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS LLC (US) 2012-09-26 EP claimed
JP-2012500218-A 2012-01-05 JP claimed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US claimed
EP-2315590-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2011-05-04 EP claimed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-8642628-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
EP-2315590-B1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS LLC (US) 2012-09-26 EP disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
EP-2315590-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2011-05-04 EP disclosed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 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-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR MAPT 3148/4885HTR7 2892/4885MAPKAPK2 4282/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR MAPT 3148/4885HTR7 2892/4885MAPKAPK2 4282/4885

“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.