SCHEMBL1042844

SCHEMBL1042844

CC(C)Oc1cc(Cc2cccc(Cl)c2F)cc2c(=O)c(C(=O)O)cn(C(C)CO)c12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 2/20 0.58
P2RX7 Q99572 3/20 0.34
NTRK1 P04629 3/20 0.34
CFD P00746 2/20 0.34
CMA1 P23946 2/20 0.34
PLA2G4A P47712 1/20 0.33
P2RX3 P56373 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
METTL14 Q9HCE5 1/20 0.33
CHRM1 P11229 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
SCHEMBL1042843 1.00 METTL3 (0.58) METTL3P2RX7NTRK1CFDCMA1
SCHEMBL1042974 0.93 METTL3 (0.64) METTL3NTRK1CFDCMA1PLA2G4A
SCHEMBL1042976 0.93 METTL3 (0.64) METTL3NTRK1CFDCMA1PLA2G4A
SCHEMBL1045793 0.92 METTL3 (0.65) METTL3P2RX7CFDP2RX3MRGPRX4
SCHEMBL29875102 0.92 METTL3 (0.65) METTL3P2RX7CFDP2RX3MRGPRX4
SCHEMBL14611521 0.92 METTL3 (0.54) METTL3P2RX7CFDPLA2G4AP2RX3
SCHEMBL1045792 0.92 METTL3 (0.65) METTL3P2RX7CFDP2RX3MRGPRX4
SCHEMBL1044583 0.91 METTL3 (0.54) METTL3P2RX7CFDP2RX3MRGPRX4
SCHEMBL1044585 0.91 METTL3 (0.54) METTL3P2RX7CFDP2RX3MRGPRX4
SCHEMBL1043000 0.91 METTL3 (0.57) METTL3NTRK1CFDPLA2G4AMRGPRX4

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 24 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
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
US-20130172344-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. 2013-07-04 US disclosed
US-20130172344-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. 2013-07-04 US disclosed
EP-2161258-A2 4-oxoquinoline compound and use thereof as hiv integrase inhibitor Japan Tabacco Inc. (JP) 2010-03-10 EP disclosed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 EP 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-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 (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-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 METTL3 1398/4885P2RX7 3526/4885NTRK1 4702/4885
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 METTL3 1398/4885P2RX7 3526/4885NTRK1 4702/4885
US-20130172344-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, CDKL4, IMPDH2 METTL3 1861/4885P2RX7 4015/4885NTRK1 4624/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT METTL3 1258/4885P2RX7 3047/4885NTRK1 4725/4885
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, CDKL4, IMPDH2 METTL3 1861/4885P2RX7 4015/4885NTRK1 4624/4885
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors IMPDH1, IMPDH2, TYMP METTL3 1746/4885P2RX7 3947/4885NTRK1 4599/4885

“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.