SCHEMBL2032086

SCHEMBL2032086

CCOC(=O)CCc1scc(-c2ccc(OC)cc2)c1-c1ccc(C#N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
MAPT P10636 7/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK14 Q16539 1/20 0.37
KMT2A Q03164 2/20 0.37
ALOX12 P18054 1/20 0.37
THRB P10828 3/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
ALK Q9UM73 1/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.35
PRKCZ Q05513 1/20 0.35
PTPN1 P18031 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
SCHEMBL2033179 0.90 PRKCZ (0.43) HRH2HRH1MAPTALDH1A1KDM4E
SCHEMBL2033079 0.90 HRH2 (0.41) HRH2HRH1MAPTALDH1A1KDM4E
SCHEMBL2034990 0.76 CYP1A1 (0.41) HRH2HRH1MAPTRXFP1MAPK14
SCHEMBL2032724 0.75 USP14 (0.39) HRH2HRH1ALDH1A1KDM4ETHRB
SCHEMBL2034931 0.75 MAPK14 (0.38) HRH2HRH1MAPTALDH1A1NPSR1
SCHEMBL2034932 0.75 MAPK14 (0.38) HRH2HRH1MAPTALDH1A1NPSR1
SCHEMBL2032377 0.74 FFAR1 (0.42) HRH2HRH1THRBCYP1A1CYP1B1
SCHEMBL2049610 0.74 POLB (0.38) HRH2HRH1ALDH1A1KDM4EALK
SCHEMBL2035498 0.73 MAPT (0.42) MAPTALDH1A1KDM4EPRKCZ
SCHEMBL7229011 0.73 HRH2 (0.47) HRH2HRH1MAPTALDH1A1KDM4E

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-8859611-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
EP-2512247-B1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS INC (US) 2014-06-04 EP disclosed
US-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-27 US disclosed
US-8586624-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
EP-2512247-A1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2012-10-24 EP disclosed
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-09-27 US disclosed
WO-2011075478-A1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-06-23 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-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR HRH2 3451/4885HRH1 3851/4885MAPT 3239/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR HRH2 3451/4885HRH1 3851/4885MAPT 3239/4885

“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.