SCHEMBL3826741

SCHEMBL3826741

Nc1ccnc([N+](=O)[O-])n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.39
HSP90AA1 P07900 1/20 0.37
GSK3B P49841 2/20 0.36
HASPIN Q8TF76 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
PDE10A Q9Y233 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CDC7 O00311 1/20 0.34
PDE4D Q08499 1/20 0.34
CLK1 P49759 3/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGMT P16455 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
SCHEMBL27631939 0.78 MAPT (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL3293002 0.77 PDE10A (0.36) ROCK1ALDH1A1MAPTPDE10AMEN1
SCHEMBL251218 0.75 PDE10A (0.35) ROCK1HSP90AA1ALDH1A1LMNAMAPT
SCHEMBL1703418 0.75 TXNRD1 (0.39) ROCK1HSP90AA1ALDH1A1LMNAMAPT
SCHEMBL8665016 0.75 MAPT (0.39) ROCK1HSP90AA1ALDH1A1LMNAMAPT
Diaminopyrimidine SCHEMBL2745743 0.73 ROCK1 (0.45) ROCK1HSP90AA1GSK3BALDH1A1LMNA
Diaminopyrimidine SCHEMBL29430428 0.73 ROCK1 (0.45) ROCK1HSP90AA1GSK3BALDH1A1LMNA
SCHEMBL28940336 0.72 PDE10A (0.33) ROCK1ALDH1A1MAPTPDE10AMEN1
SCHEMBL17674175 0.71 KDM4E (0.47) ALDH1A1LMNAMAPTHPGDALOX15
SCHEMBL57064 0.69

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
US-5445854-A A cured epoxy resins having glycidyl aromatic or heterocylic hydrazone monomer; high glass transition temperature, stability THE DOW CHEMICAL COMPANY (US) 1995-08-29 US claimed
US-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 GBIOTECH S.À.R.L. (CH) 2022-09-01 US disclosed
CN-106279172-A Purinone compound as inhibitors of kinases 药品循环有限责任公司 2017-01-04 CN disclosed
CN-104640861-B Purinone compounds as kinase inhibitors 药品循环公司 2016-08-24 CN disclosed
EP-2099800-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION Pharmacopeia, LLC (US) 2009-09-16 EP disclosed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US disclosed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN disclosed
US-5621071-A Mesogenic novolacs and resins THE DOW CHEMICAL COMPANY (US) 1997-04-15 US disclosed
US-5486580-A Mesogenic novolacs and resins THE DOW CHEMICAL COMPANY (US) 1996-01-23 US disclosed
US-5466397-A Polyethers, epoxy resins, polycarbonates THE DOW CHEMICAL COMPANY (US) 1995-11-14 US disclosed
US-5445854-A A cured epoxy resins having glycidyl aromatic or heterocylic hydrazone monomer; high glass transition temperature, stability THE DOW CHEMICAL COMPANY (US) 1995-08-29 US disclosed
US-5279870-A Polymerizing epoxy compound; adding curing agent THE DOW CHEMICAL COMPANY (US) 1994-01-18 US disclosed
US-5273792-A Polyepoxide compound cured by an aromatic diamine having a monovalent electron-withdrawing group THE DOW CHEMICAL COMPANY (US) 1993-12-28 US disclosed
EP-0430143-A2 Novel cured epoxy resins THE DOW CHEMICAL COMPANY (US) 1991-06-05 EP 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 (1 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-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 FFAR2, FFAR1, FFAR3 ROCK1 4273/4885HSP90AA1 2944/4885GSK3B 1838/4885

“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.