Oxyquinoline

Oxyquinoline

SCHEMBL324753

O=S(=O)(O)O.Oc1cccc2cccnc12.Oc1cccc2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Oxyquinoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.81
ADRA1A known ✓ P35348 1/20 0.81
KDM4E B2RXH2 4/20 1.00
ALOX12 P18054 2/20 1.00
COMT P21964 3/20 0.81
MMP2 P08253 2/20 0.81
TSHR P16473 2/20 0.81
METAP2 P50579 1/20 0.81
METAP1 P53582 1/20 0.81
HDAC8 Q9BY41 1/20 0.81
LMNA P02545 3/20 0.63
ALDH1A1 P00352 3/20 0.63
MAPK1 P28482 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
TDP1 Q9NUW8 3/20 0.55
GAA P10253 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
Oxyquinoline SCHEMBL11030481 1.00 KDM4E (1.00) KDM4EALOX12COMTMMP2TSHR
Oxyquinoline SCHEMBL29358129 1.00 KDM4E (1.00) KDM4EALOX12COMTMMP2TSHR
Oxyquinoline SCHEMBL29390000 1.00 KDM4E (1.00) KDM4EALOX12COMTMMP2TSHR
Oxyquinoline SCHEMBL11030474 1.00 KDM4E (1.00) KDM4EALOX12COMTMMP2TSHR
Oxyquinoline SCHEMBL9625423 1.00 KDM4E (1.00) KDM4EALOX12COMTMMP2TSHR
Oxyquinoline SCHEMBL48928 1.00 KDM4E (1.00) KDM4EALOX12COMTMMP2TSHR
Oxyquinoline SCHEMBL29598375 1.00 KDM4E (1.00) KDM4EALOX12COMTMMP2TSHR
Oxyquinoline SCHEMBL11030477 1.00 KDM4E (1.00) KDM4EALOX12COMTMMP2TSHR
Oxyquinoline SCHEMBL406261 1.00 KDM4E (1.00) KDM4EALOX12COMTMMP2TSHR
Oxyquinoline SCHEMBL6081972 0.98 KDM4E (0.96) KDM4EALOX12COMTMMP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 CN claimed
CN-107926985-B Compositions comprising biological control agents and fungicides 拜尔农作物科学股份公司 2021-02-02 CN claimed
EP-3488700-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2020-12-16 EP claimed
CN-104507317-B Composition comprising a biological control agent and a fungicide, use thereof, kit 拜尔农作物科学股份公司 2019-11-15 CN claimed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP claimed
EP-3488700-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2019-05-29 EP claimed
EP-2854552-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF AMINO ACID OR PROTEIN BIOSYNTHESIS, INHIBITORS OF ATP PRODUCTION AND INHIBITORS OF THE CELL WALL SYNTHESIS BAYER CROPSCIENCE AG (DE) 2019-05-08 EP claimed
EP-3409120-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2018-12-05 EP claimed
EP-3395171-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-31 EP claimed
CN-108669088-A Include the composition of biocontrol agent and the fungicide selected from Cell wall synthesis inhibitor 拜耳作物科学股份公司 2018-10-19 CN claimed
WO-2012143127-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND A FUNGICIDAL COMPOUND BAYER CROPSCIENCES AG (DE) 2012-10-26 WO claimed
EP-2494867-A1 Halogen-substituted compounds in combination with fungicides Bayer CropScience AG (DE) 2012-09-05 EP claimed
EP-2467367-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2012-06-27 EP claimed
US-20120027741-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2012-02-02 US claimed
EP-2398326-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2011-12-28 EP claimed
US-7934888-B2 Marine anti-foulant system and methods for using same VIV SUPPRESSION, INC. (US) 2011-05-03 US claimed
WO-2011020567-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 WO claimed
WO-2010094728-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2010-08-26 WO claimed
US-20090185867-A1 MARINE ANTI-FOULANT SYSTEM AND METHODS FOR USING SAME ASSET INTEGRITY MANAGEMENT SOLUTIONS, L.L.C., D/B/A AIMS INTERNATIONAL 2009-07-23 US claimed
EP-2014167-A1 Active compound combinations Bayer CropScience AG (DE) 2009-01-14 EP claimed

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-20120027741-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE DDT, TH, PRDX5 CHRM1 1385/4885ADRA1A 4718/4885KDM4E 2173/4885

“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.