SCHEMBL4463430

SCHEMBL4463430

CCc1cnc2c(O)cccc2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.62
PARP1 P09874 1/20 0.61
METAP2 P50579 2/20 0.47
MMP2 P08253 1/20 0.47
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.47
COMT P21964 1/20 0.47
ADRA1A P35348 1/20 0.47
METAP1 P53582 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PAX8 Q06710 1/20 0.42
ALOX12 P18054 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ACHE P22303 1/20 0.38

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
Hydrochloric Acid SCHEMBL9814926 0.98 KDM4E (0.60) KDM4EPARP1METAP2MMP2CHRM1
Hydrochloric Acid SCHEMBL9814936 0.98 KDM4E (0.60) KDM4EPARP1METAP2MMP2CHRM1
Nitric Acid SCHEMBL9308497 0.90 PARP1 (0.56) KDM4EPARP1METAP2MMP2CHRM1
SCHEMBL7589324 0.82 KDM4E (0.57) KDM4EPARP1METAP2MMP2CHRM1
SCHEMBL21651065 0.82 KDM4E (0.57) KDM4EPARP1METAP2MMP2CHRM1
SCHEMBL7043349 0.82 KDM4E (0.53) KDM4EPARP1CHRM1ACHE
Bromide SCHEMBL7469974 0.81 KDM4E (0.55) KDM4EPARP1METAP2MMP2CHRM1
SCHEMBL5094347 0.81 PARP1 (0.59) KDM4EPARP1MEN1KMT2ACYP1A2
SCHEMBL6171961 0.81 PARP1 (0.59) KDM4EPARP1HDAC8CYP1A2CYP2A6
SCHEMBL10705519 0.80 KDM4E (0.59) KDM4EMETAP2MMP2CHRM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116851037-A Preparation method and application of hydroxyquinoline coordinated catalyst and compound 上海元革新材料科技有限公司 2023-10-10 CN claimed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
US-5614635-A Method for the preparation of pyridine-2,3-dicarboxylic acids AMERICAN CYANAMID COMPANY (US) 1997-03-25 US claimed
EP-0331899-B1 A method for the sequential oxidation of substituted-8-hydroxy-quinolines to produce substituted-pyridine-2,3-dicarboxylic acids AMERICAN CYANAMID CO (US) 1994-04-27 EP claimed
EP-0259687-B1 METHOD FOR THE PREPARATION OF PYRIDINE-2,3-DICARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP claimed
EP-0331899-A2 A method for the sequential oxidation of substituted-8-hydroxy-quinolines to produce substituted-pyridine-2,3-dicarboxylic acids AMERICAN CYANAMID COMPANY (US) 1989-09-13 EP claimed
US-4816588-A OXIDATION OF 8-SUBSTITUTED QUINOLINES AMERICAN CYANAMID COMPANY (US) 1989-03-28 US claimed
CN-116851037-A Preparation method and application of hydroxyquinoline coordinated catalyst and compound 上海元革新材料科技有限公司 2023-10-10 CN disclosed
EP-3847889-A1 BIOCIDAL COMPOSITIONS COMPRISING IRON CHELATORS Arch Chemicals, Inc. (US) 2021-07-14 EP disclosed
US-20200170249-A1 Biocidal Compositions Comprising Iron Chelators ARCH CHEMICALS, INC. 2020-06-04 US disclosed
US-10433548-B2 Biocidal compositions comprising iron chelators ARCH CHEMICALS, INC. (US) 2019-10-08 US disclosed
EP-2906038-A1 BIOCIDAL COMPOSITIONS COMPRISING IRON CHELATORS Arch Chemicals, Inc. (US) 2015-08-19 EP disclosed
US-20140154189-A1 Biocidal Compositions Comprising Iron Chelators ARCH CHEMICALS, INC. (US) 2014-06-05 US disclosed
US-5284955-A Herbicide intermediates AMERICAN CYANAMID COMPANY (US) 1994-02-08 US disclosed
US-5122608-A Hydrolysis ofa 2,3-pyridine- or quinolinedicarboxylic acid diester with water and a acid having an ionization constant of 3; treating with a base and separating AMERICAN CYANAMID COMPANY (US) 1992-06-16 US disclosed
EP-0259687-B1 METHOD FOR THE PREPARATION OF PYRIDINE-2,3-DICARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed
EP-0331899-A2 A method for the sequential oxidation of substituted-8-hydroxy-quinolines to produce substituted-pyridine-2,3-dicarboxylic acids AMERICAN CYANAMID COMPANY (US) 1989-09-13 EP disclosed
US-4816588-A OXIDATION OF 8-SUBSTITUTED QUINOLINES AMERICAN CYANAMID COMPANY (US) 1989-03-28 US disclosed
US-4738796-A HEAT STABILIZATION USING MIXTURE OF 8-HYDROXYQUINOLINE AND ORGANIC PHOSPHATES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-04-19 US disclosed
EP-0259687-A2 Method for the preparation of pyridine-2,3-dicarboxylic acids AMERICAN CYANAMID COMPANY (US) 1988-03-16 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 (3 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-10433548-B2 Biocidal compositions comprising iron chelators SLC40A1, TFRC, SLC39A14 KDM4E 3199/4885PARP1 2586/4885METAP2 377/4885
US-20140154189-A1 Biocidal Compositions Comprising Iron Chelators SLC40A1, TFRC, SLC39A14 KDM4E 3199/4885PARP1 2586/4885METAP2 377/4885
US-20200170249-A1 Biocidal Compositions Comprising Iron Chelators SLC40A1, TFRC, SLC39A14 KDM4E 3199/4885PARP1 2586/4885METAP2 377/4885

“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.