SCHEMBL2821603

SCHEMBL2821603

CCCCCC1=Nc2ccccc2C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
CES1 P23141 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDC25A P30304 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARA Q07869 1/20 0.33
ADRA1A P35348 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
SCHEMBL472760 0.98 PTPN1 (0.42) PTPN1NR1H2NR1H3TDP1L3MBTL1
SCHEMBL21065455 0.98 PTPN1 (0.42) PTPN1NR1H2NR1H3TDP1L3MBTL1
SCHEMBL8780480 0.95 PTPN1 (0.35) PTPN1NR1H2NR1H3SIGMAR1ALDH1A1
Phosphoric Acid SCHEMBL27784283 0.93 CETP (0.39) PTPN1NR1H2NR1H3HPGDMEN1
SCHEMBL9175519 0.89 SHMT2 (0.34) PTPN1L3MBTL1ALDH1A1CES1SMN1; SMN2
SCHEMBL4764684 0.82 SHMT2 (0.39) TDP1L3MBTL1ALDH1A1CES1SMN1; SMN2
SCHEMBL9361210 0.82 EPHX2 (0.37) TDP1L3MBTL1ALDH1A1HPGDMEN1
SCHEMBL3014252 0.79 ALDH1A1 (0.36) TDP1L3MBTL1ALDH1A1CES1SMN1; SMN2
SCHEMBL18172243 0.79 DHODH (0.41) TDP1L3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL7913644 0.78 TDP1 (0.39) PTPN1NR1H2NR1H3TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108610286-B 2-aryl-4-quinolone derivative and preparation method and application thereof 绍兴文理学院 2021-12-03 CN claimed
CN-108610286-A A kind of 2- aryl-4-quinolones derivative and its preparation method and application 绍兴文理学院 2018-10-02 CN claimed
US-9023867-B2 Hydrophilic derivatives of 2-selenophene-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-05 US claimed
US-20130244983-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2013-09-19 US claimed
US-8440692-B2 Hydrophilic derivatives of 2-aryl-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2013-05-14 US claimed
EP-2096924-B1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS UNIV CHINA MEDICAL (TW) 2013-02-13 EP claimed
US-20100168064-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2010-07-01 US claimed
EP-2096924-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS China Medical University (TW) 2009-09-09 EP claimed
WO-2008070176-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2008-06-12 WO claimed
WO-1994002145-A2 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-03 WO claimed
CN-108610286-B 2-aryl-4-quinolone derivative and preparation method and application thereof 绍兴文理学院 2021-12-03 CN disclosed
CN-108610286-B 2-aryl-4-quinolone derivative and preparation method and application thereof 绍兴文理学院 2021-12-03 CN disclosed
CN-108610286-B 2-aryl-4-quinolone derivative and preparation method and application thereof 绍兴文理学院 2021-12-03 CN disclosed
CN-108623563-A A kind of application of quinolinones compound in drug 中国海洋大学 2018-10-09 CN disclosed
CN-108617661-A A kind of application of alkaloid compound in agricultural drugs 中国海洋大学 2018-10-09 CN disclosed
US-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed
WO-1996010563-A1 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-04-11 WO disclosed
WO-1994002145-A3 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS GENELABS TECH INC (US) 1994-04-28 WO disclosed
WO-1994002145-A2 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-03 WO disclosed
WO-1994002145-A2 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-03 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-20130244983-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS DHX30, SLC20A2, SLC20A1 PTPN1 743/4885NR1H2 3296/4885NR1H3 3763/4885
US-20100168064-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-ARYL-4-QUINOLONES AS ANTICANCER AGENTS DHX30, SLC20A2, DDX20 PTPN1 1016/4885NR1H2 2643/4885NR1H3 3327/4885

“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.