SCHEMBL243157

SCHEMBL243157

Cc1cc(C(N)=O)ccc1-n1c(Cc2nnn[nH]2)ccc1-c1ccc(-n2ccnc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 4/20 0.52
CYP2C19 P33261 1/20 0.52
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
MAP4K4 O95819 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
PORCN Q9H237 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
TTK P33981 1/20 0.30
NR3C2 P08235 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
MAPT P10636 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL242276 0.86 ADH5 (0.41) ADH5CYP2C19PDE4APDE4BPDE4C
SCHEMBL243801 0.85 ADH5 (0.47) ADH5CYP2C19MAP4K4ALDH1A1MAPT
SCHEMBL245048 0.84 ADH5 (0.46) ADH5CYP2C19MAP4K4ALDH1A1MAPT
SCHEMBL243641 0.82 ADH5 (0.75) ADH5CYP2C19ALDH1A1MAPTNPC1
SCHEMBL247462 0.80 MAPT (0.42) ADH5CYP2C19PDE4APDE4BPDE4C
SCHEMBL244882 0.79 ADH5 (0.50) ADH5CYP2C19ALDH1A1MAPTNPC1
SCHEMBL244679 0.79 ADH5 (0.61) ADH5CYP2C19PDE4APDE4BPDE4C
SCHEMBL18124132 0.78 ADH5 (0.55) ADH5CYP2C19PDE4APDE4BPDE4C
SCHEMBL244532 0.78 ADH5 (0.49) ADH5CYP2C19MAP4K4ALDH1A1HPGD
SCHEMBL1901519 0.77 MYC (0.40) ADH5CYP2C19ALDH1A1HPGDMAPT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846736-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-09-30 US claimed
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US claimed
US-20130253024-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2013-09-26 US claimed
US-8470857-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2013-06-25 US claimed
EP-2318007-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS INC (US) 2013-01-23 EP claimed
JP-2012500217-A 2012-01-05 JP claimed
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US claimed
EP-2318007-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP claimed
WO-2010019905-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
US-8846736-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8846736-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8846736-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8470857-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
EP-2318007-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
EP-2318007-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US 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 (3 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-20130253024-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885PDE4A 1343/4885
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885PDE4A 1343/4885
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885PDE4A 1343/4885

“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.