SCHEMBL1044455

SCHEMBL1044455

O=C(O)c1cn(CCO)c2c(NCCO)cc(Cc3cccc(Cl)c3F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.42
TOP1 P11387 3/20 0.40
PCSK9 Q8NBP7 1/20 0.38
CHRM1 P11229 1/20 0.37
KDM4E B2RXH2 2/20 0.35
CDK2 P24941 1/20 0.35
CD38 P28907 1/20 0.34
CFD P00746 2/20 0.34
LMNA P02545 1/20 0.34
PIM1 P11309 1/20 0.34
GSK3B P49841 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 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
SCHEMBL1042988 0.94 METTL3 (0.42) METTL3TOP1PCSK9CHRM1KDM4E
SCHEMBL1041917 0.92 METTL3 (0.43) METTL3TOP1PCSK9CHRM1KDM4E
SCHEMBL1042873 0.91 METTL3 (0.45) METTL3TOP1CHRM1KDM4ECFD
SCHEMBL3246516 0.89 METTL3 (0.38) METTL3TOP1PCSK9CD38CFD
SCHEMBL1044932 0.89 METTL3 (0.43) METTL3TOP1CHRM1KDM4ECFD
SCHEMBL1046140 0.86 METTL3 (0.44) METTL3TOP1CHRM1KDM4ECFD
SCHEMBL1045449 0.84 METTL3 (0.43) METTL3CHRM1KDM4ELMNAGAA
SCHEMBL3239576 0.84 METTL3 (0.38) METTL3TOP1PCSK9CD38
SCHEMBL1045267 0.83 METTL3 (0.44) METTL3TOP1CHRM1KDM4ECFD
SCHEMBL1046378 0.83 METTL3 (0.54) METTL3TOP1CHRM1KDM4ECFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 EP claimed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 EP claimed
CN-100375742-C 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors JAPAN TOBACCO INC (JP) 2008-03-19 CN claimed
CN-1692101-A 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors JAPAN TOBACCO INC (JP) 2005-11-02 CN claimed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 EP claimed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
EP-4059923-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2022-09-21 EP disclosed
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2020-04-02 US disclosed
EP-3406596-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2018-11-28 EP disclosed
US-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. 2015-06-25 US disclosed
CN-100375742-C 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors JAPAN TOBACCO INC (JP) 2008-03-19 CN disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 US disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 US disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 US disclosed
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-09-28 US disclosed
CN-1692101-A 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors JAPAN TOBACCO INC (JP) 2005-11-02 CN disclosed
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors SHIONOGI & CO., LTD. (JP) 2005-10-27 US disclosed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 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 (5 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-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 METTL3 1398/4885TOP1 303/4885PCSK9 549/4885
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 METTL3 1398/4885TOP1 303/4885PCSK9 549/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT METTL3 1258/4885TOP1 325/4885PCSK9 604/4885
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, CDKL4, IMPDH2 METTL3 1861/4885TOP1 192/4885PCSK9 927/4885
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors IMPDH1, IMPDH2, TYMP METTL3 1746/4885TOP1 146/4885PCSK9 1162/4885

“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.