Sugi Predict

Sugi Predict / Compounds / SCHEMBL1828289

SCHEMBL1828289

SCHEMBL1828289

Cc1cc(C#N)ccc1-c1c(-c2ccc(-n3ccnc3)cc2)ccn1CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADH5 P11766 11/20 0.51
▸ PDE3B Q13370 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ PDE2A O00408 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ TBXAS1 P24557 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ NSD2 O96028 1/20 0.36

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
SCHEMBL246466 0.85 ADH5 (0.59) ADH5TBXAS1CYP2C19NSD2
SCHEMBL1828937 0.84 HRH2 (0.40) SLC22A12NSD2
SCHEMBL17630206 0.80 ADH5 (0.60) ADH5PDE3BPDE3APDE2APDE1A
SCHEMBL1829684 0.76 HRH2 (0.45) CYP2C19
SCHEMBL17630180 0.74 ADH5 (0.64) ADH5PDE3BPDE3APDE2APDE1A
SCHEMBL17630010 0.72 ADH5 (0.50) ADH5PDE3BPDE3APDE2APDE1A
SCHEMBL17630102 0.71 PDE2A (0.47) ADH5PDE3BPDE3APDE2APDE1A
SCHEMBL17643377 0.69 ADH5 (0.60) ADH5PDE3BPDE3APDE2APDE1A
SCHEMBL17629993 0.69 ADH5 (0.60) ADH5PDE3BPDE3APDE2APDE1A
SCHEMBL17643381 0.69 PDE2A (0.50) ADH5PDE3BPDE3APDE2APDE1A

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 84/4885PDE3B 529/4885PDE3A 579/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR ADH5 84/4885PDE3B 529/4885PDE3A 579/4885

“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.