SCHEMBL1393643

SCHEMBL1393643

CC(C)(C)OC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
ESR2 Q92731 1/20 0.55
NR1H2 P55055 2/20 0.54
DPP7 Q9UHL4 1/20 0.52
HDAC1 Q13547 1/20 0.52
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
DRD2 P14416 1/20 0.48
NAMPT P43490 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
MAPK1 P28482 1/20 0.45
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL30130812 0.91 NR1H2 (0.67) ALDH1A1LMNAMAPTESR2NR1H2
SCHEMBL6499027 0.91 ESR2 (0.69) ALDH1A1LMNAMAPTESR2NR1H2
SCHEMBL396485 0.91 NR1H2 (0.67) ALDH1A1LMNAMAPTESR2NR1H2
SCHEMBL4674208 0.89 NR1H2 (0.58) ALDH1A1LMNAMAPTESR2NR1H2
SCHEMBL31591055 0.87 ALDH1A1 (0.50) ALDH1A1LMNAMAPTESR2NR1H2
SCHEMBL27034845 0.87 ALDH1A1 (0.50) ALDH1A1LMNAMAPTESR2NR1H2
SCHEMBL30561507 0.85 ALDH1A1 (0.51) ALDH1A1LMNAMAPTESR2NR1H2
SCHEMBL1655858 0.85 ALDH1A1 (0.51) ALDH1A1LMNAMAPTESR2NR1H2
SCHEMBL2306719 0.84 ALDH1A1 (0.62) ALDH1A1LMNAMAPTESR2NR1H2
SCHEMBL20704324 0.83 ALDH1A1 (0.49) ALDH1A1LMNAMAPTESR2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024216197-A2 COMPOUNDS AND METHODS FOR TREATING PROTEIN AGGREGATION DISEASES ACELOT, INC. (US) 2024-10-17 WO disclosed
CN-110818724-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-11-13 CN disclosed
CN-107253963-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-04-14 CN disclosed
CN-110818724-A Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-02-21 CN disclosed
US-10344040-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2019-07-09 US disclosed
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2018-08-21 US disclosed
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2018-06-28 US disclosed
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2018-06-28 US disclosed
CN-107253963-A Pyridone and azepine pyridinone compounds and application method 吉利德康涅狄格有限公司 2017-10-17 CN disclosed
CN-103038233-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2017-06-20 CN disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2005-10-06 US disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed
CN-1630642-A Benzenesulfonamide derivatives GLAXO GROUP LTD (GB) 2005-06-22 CN disclosed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 EP disclosed
EP-1474399-A1 BENZENESULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2004-11-10 EP disclosed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed
WO-2003068752-A1 BENZENESULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-08-21 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 (6 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-10344040-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK ALDH1A1 3206/4885LMNA 2383/4885MAPT 2025/4885
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 ALDH1A1 4524/4885LMNA 2461/4885MAPT 4618/4885
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK ALDH1A1 3206/4885LMNA 2383/4885MAPT 2025/4885
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents SIGMAR1, CNR1, CBR1 ALDH1A1 1821/4885LMNA 2723/4885MAPT 3969/4885
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK ALDH1A1 3206/4885LMNA 2383/4885MAPT 2025/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ALDH1A1 3358/4885LMNA 4640/4885MAPT 3843/4885

“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.