SCHEMBL1828375

SCHEMBL1828375

CCOC(=O)CCc1ccn(-c2ccc(Cl)cc2OC)c1-c1ccc(C(N)=O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.35
MDM2 Q00987 2/20 0.33
GAA P10253 2/20 0.33
HTR1D P28221 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SYK P43405 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL242866 0.90 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2MDM2
SCHEMBL1826728 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2MAPK1
SCHEMBL1826653 0.79 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2MDM2
SCHEMBL1829515 0.79 MAPT (0.36) MAPK1GAAMEN1KMT2APOLB
SCHEMBL1828932 0.77 ADH5 (0.43) SLC6A2SLC6A4SLC6A3KCNH2MAPK1
SCHEMBL1829723 0.76 MAPT (0.37) SLC6A2SLC6A4SLC6A3MAPK1MDM2
SCHEMBL1829721 0.76 MAPT (0.37) SLC6A2SLC6A4SLC6A3MAPK1MDM2
SCHEMBL1829361 0.74 ADH5 (0.47) MEN1KMT2APDE4BPDE4DSMN1; SMN2
SCHEMBL27843648 0.73 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2MAPK1
SCHEMBL243931 0.71 POLB (0.40) PDE4BPOLB

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 SLC6A2 1980/4885SLC6A4 1714/4885SLC6A3 1518/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR SLC6A2 1980/4885SLC6A4 1714/4885SLC6A3 1518/4885

“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.