SCHEMBL2035965

SCHEMBL2035965

Cc1cc(C#N)ccc1-c1c(Br)csc1C=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.36
EIF4E P06730 1/20 0.35
EGLN2 Q96KS0 7/20 0.34
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
SLC22A12 Q96S37 1/20 0.33
SCN9A Q15858 2/20 0.32
S1PR1 P21453 1/20 0.32
PDE4B Q07343 1/20 0.31
PDE4C Q08493 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
SCHEMBL2032280 0.80 EGLN2 (0.37) PDE4AEIF4EEGLN2SCN9AS1PR1
SCHEMBL2034990 0.78 CYP1A1 (0.41) EIF4E
SCHEMBL2035404 0.73 CYP17A1 (0.43)
SCHEMBL2052330 0.72 ALDH1A1 (0.42) PDE4AEIF4EEGLN2
SCHEMBL2032490 0.71 ESR1 (0.42) EIF4EEGLN2CYP11B1CYP11B2SLC22A12
SCHEMBL2154193 0.70 CYP11B2 (0.53) EGLN2CYP11B1CYP11B2SLC22A12
SCHEMBL6514538 0.68 HRH2 (0.41) EIF4EEGLN2CYP11B1CYP11B2SLC22A12
SCHEMBL15331313 0.68 CYP2A6 (0.31)
SCHEMBL2033018 0.67 PTGS1 (0.38) EIF4ECYP11B2
SCHEMBL152218 0.67 ALDH1A1 (0.46) EGLN2CYP11B1CYP11B2

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 PDE4A 1648/4885EIF4E 4655/4885EGLN2 2496/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR PDE4A 1648/4885EIF4E 4655/4885EGLN2 2496/4885

“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.