SCHEMBL9684174

SCHEMBL9684174

Cc1ccnc(C(=O)O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ASPH Q12797 5/20 0.50
KDM8 Q8N371 5/20 0.50
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MYC P01106 1/20 0.43
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL30049082 1.00 KDM4E (0.50) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL28582520 0.98 KDM4E (0.48) KDM4EASPHKDM8ALDH1A1MAPT
Cyclopropane SCHEMBL11660772 0.94 KDM4E (0.46) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL6578250 0.88 KDM4E (0.43) KDM4EASPHKDM8ALDH1A1MAPT
Crotonaldehyde SCHEMBL10573229 0.85 KDM4E (0.39) KDM4EASPHKDM8ALDH1A1MAPT
Crotonaldehyde SCHEMBL10573246 0.85 KDM4E (0.39) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL9837598 0.83 KDM4E (0.45) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL28380748 0.82 KDM4E (0.63) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL353204 0.81 KDM4E (0.40) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL7199668 0.81 KDM4E (0.47) KDM4EASPHKDM8ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590343-B2 Corrosion inhibitor composition for magnesium or magnesium alloys Helmholtz-Zentrum Geesthacht Zentrum für Material-und Küstenforschung GmbH (DE) 2020-03-17 US claimed
CN-109467531-A A kind of preparation method of substituted pyridines dicarboxylic acid derivatives 沈阳科创化学品有限公司 2019-03-15 CN claimed
EP-3284847-B1 CORROSION INHIBITOR COMPOSITION FOR MAGNESIUM OR MAGNESIUM ALLOYS HELMHOLTZ ZENTRUM GEESTHACHT (DE) 2019-01-02 EP claimed
EP-3284847-A1 CORROSION INHIBITOR COMPOSITION FOR MAGNESIUM OR MAGNESIUM ALLOYS Helmholtz-Zentrum Geesthacht Zentrum für Material- und Küstenforschung GmbH (DE) 2018-02-21 EP claimed
US-20180044590-A1 Corrosion Inhibitor Composition for Magnesium or Magnesium Alloys Helmholtz-Zentrum Geesthacht Zentrum für Material-und Küstenforschung GmbH (DE) 2018-02-15 US claimed
CN-1067379-C Process of 5-(substituted methyl)-2,3-pyridinedicarboxylic acids AMERICAN CYANAMID CO (US) 2001-06-20 CN claimed
US-20240254140-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2024-08-01 US disclosed
EP-4405352-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
CN-117980303-A Novel compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-05-03 CN disclosed
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
WO-2023041756-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2023-03-23 WO disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP 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
CN-1061595-A Be used as new heterocyclics of excited amino acid receptor antagonists and its production and use AKTIEBOTAGEL ASTRA (SE) 1992-06-03 CN disclosed
EP-0259687-B1 METHOD FOR THE PREPARATION OF PYRIDINE-2,3-DICARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed
US-4816588-A OXIDATION OF 8-SUBSTITUTED QUINOLINES AMERICAN CYANAMID COMPANY (US) 1989-03-28 US disclosed
EP-0259687-A2 Method for the preparation of pyridine-2,3-dicarboxylic acids AMERICAN CYANAMID COMPANY (US) 1988-03-16 EP disclosed
US-4259527-A OXIDATION OF SECONDARY ALCOHOLS TO KETONES WITH HYDROGEN PEROXIDE ALLIED CHEMICAL CORPORATION (US) 1981-03-31 US disclosed
US-4171313-A OF ALICYCLIC KETONES TO LACTONES, W-HYDROXY ACIDS AND ESTERS USING HYDROGEN PEROXIDE AS AN OXIDIZING AGENT ALLIED CHEMICAL CORPORATION (US) 1979-10-16 US 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-20240254140-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION C3AR1, LTB4R, C5 KDM4E 4227/4885ASPH 2297/4885KDM8 4643/4885
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 KDM4E 4195/4885ASPH 2262/4885KDM8 4716/4885

“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.