SCHEMBL1907171

SCHEMBL1907171

Cc1cc(C(=O)OC(C)(C)C)ccc1-n1c(CC(=O)O)ccc1-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ADH5 P11766 1/20 0.41
CYP2C19 P33261 1/20 0.41
MYC P01106 2/20 0.40
HTR7 P34969 1/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CNKSR1 Q969H4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX15 P16050 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
SCHEMBL1905617 0.91 ADH5 (0.41) POLBMAPTMEN1KMT2AADH5
SCHEMBL3257284 0.89 MAPT (0.46) POLBMAPTMEN1KMT2AADH5
SCHEMBL1903181 0.86 MAPT (0.40) POLBMAPTMEN1KMT2AADH5
SCHEMBL1950247 0.81 MAPT (0.36) POLBMAPTMEN1KMT2AADH5
SCHEMBL1898870 0.80 MAPT (0.58) POLBMAPTMEN1KMT2AADH5
SCHEMBL1903190 0.78 MAPT (0.49) POLBMAPTMEN1KMT2AADH5
SCHEMBL1903922 0.75 MAPT (0.48) POLBMAPTMEN1KMT2AADH5
SCHEMBL1836767 0.75 CYP2C19 (0.48) POLBMAPTMEN1KMT2AADH5
SCHEMBL1904751 0.74 MAPT (0.43) POLBMAPTMEN1KMT2AADH5
SCHEMBL243782 0.74 ADH5 (0.69) POLBMAPTMEN1KMT2AADH5

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 8 patents. 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 disclosed
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20130253024-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2013-09-26 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
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
EP-2318007-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP disclosed
WO-2010019905-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS 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 (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 POLB 1032/4885MAPT 3482/4885MEN1 4582/4885
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR POLB 1032/4885MAPT 3482/4885MEN1 4582/4885
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR POLB 1032/4885MAPT 3482/4885MEN1 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.