SCHEMBL1829774

SCHEMBL1829774

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
FFAR1 O14842 10/20 0.41
GRM2 Q14416 1/20 0.38
XDH P47989 1/20 0.38
MAPK14 Q16539 1/20 0.38
CTSA P10619 3/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1829683 0.85 HRH2 (0.44) HRH2HRH1GRM2XDHMAPK14
SCHEMBL247807 0.83 PLAU (0.42) FFAR1CTSA
SCHEMBL1829684 0.79 HRH2 (0.45) HRH2HRH1FFAR1GRM2XDH
SCHEMBL1828357 0.74 GRM2 (0.42) HRH2HRH1GRM2MAPK14
SCHEMBL7229011 0.73 HRH2 (0.47) HRH2HRH1MAPK14KDM4EMAPT
SCHEMBL244531 0.73 TNF (0.39) FFAR1CTSA
SCHEMBL247116 0.71 PLAU (0.38) FFAR1CTSA
SCHEMBL1829979 0.71 HRH2 (0.40) HRH2HRH1GRM2MAPK14MAPT
SCHEMBL1828937 0.69 HRH2 (0.40) HRH2HRH1FFAR1GAA
SCHEMBL1828903 0.68 GRM2 (0.38) HRH2HRH1GRM2MAPK14

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 7 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 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 HRH2 3574/4885HRH1 4245/4885FFAR1 1480/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR HRH2 3574/4885HRH1 4245/4885FFAR1 1480/4885

“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.