SCHEMBL244882

SCHEMBL244882

Cc1cc(C(N)=O)ccc1-n1c(CCc2nnn[nH]2)ccc1-c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 5/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MYC P01106 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.31
CHEK2 O96017 1/20 0.31
CNKSR1 Q969H4 1/20 0.31

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
SCHEMBL243801 0.92 ADH5 (0.47) ADH5CYP2C19MEN1KMT2APOLB
SCHEMBL244532 0.89 ADH5 (0.49) ADH5CYP2C19MEN1KMT2APOLB
SCHEMBL243380 0.86 ADH5 (0.39) ADH5CYP2C19KDM4EALDH1A1
SCHEMBL1901519 0.83 MYC (0.40) ADH5CYP2C19MEN1KMT2APOLB
SCHEMBL1904873 0.81 MAPT (0.46) ADH5CYP2C19MEN1KMT2APOLB
SCHEMBL245048 0.81 ADH5 (0.46) ADH5CYP2C19MEN1KMT2AMAPT
SCHEMBL243782 0.81 ADH5 (0.69) ADH5CYP2C19MEN1KMT2APOLB
SCHEMBL14646584 0.80 ADH5 (0.40) ADH5CYP2C19POLBMAPTTP53
SCHEMBL12556210 0.80 ADH5 (0.63) ADH5CYP2C19MEN1KMT2APOLB
SCHEMBL243157 0.79 ADH5 (0.52) ADH5CYP2C19MAPTALDH1A1NPC1

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 548/4885MEN1 4582/4885
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885MEN1 4582/4885
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885MEN1 4582/4885

“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.