Sugi Predict

Sugi Predict / Compounds / SCHEMBL2052330

SCHEMBL2052330

SCHEMBL2052330

Cc1cc(C#N)ccc1-c1c(-c2ccc(-n3ccnc3C)cc2)csc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ ADH5 P11766 3/20 0.37
▸ ICMT O60725 3/20 0.36
▸ EGLN2 Q96KS0 2/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ EIF4E P06730 1/20 0.33
▸ PSEN1 P49768 1/20 0.33

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
SCHEMBL2051983 0.89 ALDH1A1 (0.46) ALDH1A1ADH5ICMTPDE3BPDE3A
SCHEMBL2052596 0.89 ALDH1A1 (0.46) ALDH1A1ADH5ICMTPDE3BPDE3A
SCHEMBL2050458 0.88 EIF4E (0.35) ALDH1A1ADH5ICMTEGLN2PDE4A
SCHEMBL2050457 0.88 EIF4E (0.35) ALDH1A1ADH5ICMTEGLN2PDE4A
SCHEMBL2053611 0.83 EGLN2 (0.33) ALDH1A1ICMTEGLN2PDE4AKCNH2
SCHEMBL2053190 0.81 PSEN1 (0.43) ALDH1A1ADH5CYP3A4CYP2D6KCNH2
SCHEMBL2032280 0.80 EGLN2 (0.37) EGLN2PDE4APDE3BPDE3AGAA
SCHEMBL2034990 0.78 CYP1A1 (0.41) EIF4EMAPKAPK2
SCHEMBL2049053 0.77 CYP3A4 (0.37) ALDH1A1ADH5ICMTPDE4APDE3B
SCHEMBL2052344 0.77 CYP3A4 (0.37) ALDH1A1ADH5ICMTPDE4APDE3B

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 ALDH1A1 346/4885ADH5 85/4885ICMT 761/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR ALDH1A1 346/4885ADH5 85/4885ICMT 761/4885

“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.