SCHEMBL244531

SCHEMBL244531

COc1ccc(-c2ccn(C(CC(=O)O)c3ccccc3)c2-c2ccc(C(N)=O)cc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
CTSA P10619 4/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
MAPKAPK2 P49137 2/20 0.38
FFAR1 O14842 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CHEK2 O96017 1/20 0.37
MCL1 Q07820 1/20 0.37
MAP4K4 O95819 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 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
SCHEMBL247807 0.89 PLAU (0.42) ITGB3ITGA2BCTSAPLAUPLAT
SCHEMBL12694094 0.88 MEN1 (0.39) KMT2AATMITGB3ITGA2BCTSA
SCHEMBL245518 0.85 PLAU (0.41) KMT2ACTSAPLAUPLATMAPKAPK2
SCHEMBL247116 0.84 PLAU (0.38) ITGB3ITGA2BCTSAPLAUPLAT
SCHEMBL245423 0.77 CASP3 (0.45) PLAUPLATMAPKAPK2CHEK2MAP4K4
SCHEMBL246204 0.76 PLAU (0.40) KMT2APLAUPLATMAPKAPK2CHEK2
SCHEMBL244388 0.76 PLAU (0.40) KMT2APLAUPLATMAPKAPK2CHEK2
SCHEMBL244137 0.76 PDE4B (0.41) PLAUPLATMAPKAPK2CHEK2MAP4K4
SCHEMBL242923 0.74 PTPN11 (0.46) PLAUPLATMAPKAPK2CHEK2MAP4K4
SCHEMBL12694092 0.74 PLAU (0.40) KMT2APLAUPLATMAPKAPK2CHEK2

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 24 patents — showing the first 20. 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-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
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-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US 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
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 TNF 2781/4885KMT2A 3812/4885ATM 3739/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR TNF 2781/4885KMT2A 3812/4885ATM 3739/4885

“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.