Sugi Predict

Sugi Predict / Compounds / SCHEMBL1829361

SCHEMBL1829361

SCHEMBL1829361

CCOC(=O)CCc1ccn(-c2ccc(-n3ccnc3)cc2)c1-c1ccc(C(N)=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH5 P11766 8/20 0.47
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ MAOB P27338 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SIRT3 Q9NTG7 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
SCHEMBL244440 0.89 ADH5 (0.57) ADH5CYP2C19MAPTHTTCYP3A4
SCHEMBL1829515 0.86 MAPT (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL244390 0.75 ADH5 (0.81) ADH5CYP2C19ALDH1A1MAPTKDM4E
SCHEMBL243931 0.74 POLB (0.40) ADH5CYP2C19ALDH1A1MAPTHTT
SCHEMBL1828375 0.74 SLC6A2 (0.39) MEN1KMT2ASMN1; SMN2PDE4BPDE4D
SCHEMBL246466 0.71 ADH5 (0.59) ADH5CYP2C19MAPTHTTCYP3A4
SCHEMBL11484688 0.69 TBXAS1 (0.68) CYP2C19ALDH1A1MAPTKDM4EMEN1
SCHEMBL5089219 0.68 HTT (0.60) ADH5CYP2C19ALDH1A1MAPTKDM4E
SCHEMBL1828901 0.68 ADH5 (0.59) ADH5CYP2C19ALDH1A1MAPTKDM4E
SCHEMBL5800533 0.68 HTT (0.71) ADH5CYP2C19ALDH1A1MAPTKDM4E

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 ADH5 84/4885CYP2C19 205/4885ALDH1A1 452/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR ADH5 84/4885CYP2C19 205/4885ALDH1A1 452/4885

“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.