SCHEMBL500386

SCHEMBL500386

O=C(O)c1cn(C2CC2)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
POLB P06746 2/20 0.66
OPRM1 P35372 2/20 0.66
CHRM2 P08172 1/20 0.66
CHRM1 P11229 1/20 0.66
OPRD1 P41143 1/20 0.66
TOP2A P11388 7/20 0.64
TOP2B Q02880 7/20 0.64
KCNH2 Q12809 5/20 0.52
KDM4E B2RXH2 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
PRKD3 O94806 1/20 0.50
ALOX15 P16050 1/20 0.50
CLK2 P49760 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL29962586 1.00 ALDH1A1 (0.66) ALDH1A1POLBOPRM1CHRM2CHRM1
Fluoride SCHEMBL5143354 0.98 ALDH1A1 (0.63) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL5143359 0.96 ALDH1A1 (0.62) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9149649 0.90 TOP2A (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL6217009 0.90 ALDH1A1 (0.60) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8091176 0.89 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL29463823 0.88 TOP2A (0.71) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL500719 0.88 TOP2A (0.71) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL6171288 0.88 TOP2A (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10330766 0.88 ALDH1A1 (0.63) ALDH1A1POLBOPRM1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989314-B Method for hydrolyzing quinolone formate 拜耳动物保健有限责任公司 2024-04-30 CN claimed
EP-3784656-B1 PROCESS FOR THE HYDROLYSIS OF QUINOLONE CARBOXYLIC ESTERS ELANCO ANIMAL HEALTH GMBH (DE) 2023-06-28 EP claimed
US-11332444-B2 Method for the hydrolysis of quinolonecarboxylic esters BAYER ANIMAL HEALTH GMBH (DE) 2022-05-17 US claimed
US-20210078950-A1 METHOD FOR THE HYDROLYSIS OF QUINOLONECARBOXYLIC ESTERS ELANCO ANIMAL HEALTH GMBH (DE) 2021-03-18 US claimed
EP-3784656-A1 PROCESS FOR THE HYDROLYSIS OF QUINOLONE CARBOXYLIC ESTERS Bayer Animal Health GmbH (DE) 2021-03-03 EP claimed
CN-110981853-B Preparation method of besifloxacin hydrochloride 安徽赛诺制药有限公司 2020-12-22 CN claimed
CN-111989314-A Process for hydrolysis of quinolone formates 拜耳动物保健有限责任公司 2020-11-24 CN claimed
CN-110981853-A Preparation method of besifloxacin hydrochloride 安徽赛诺制药有限公司 2020-04-10 CN claimed
US-10167271-B2 Fluoroquinolone carboxylic acid compounds and use thereof for the preparation of besifloxacin hydrochloride MANKIND PHARMA LTD (IN) 2019-01-01 US claimed
US-20170362197-A1 FLUOROQUINOLONE CARBOXYLIC ACID COMPOUNDS AND USE THEREOF FOR THE PREPARATION OF BESIFLOXACIN HYDROCHLORIDE MANKIND PHARMA LTD (IN) 2017-12-21 US claimed
WO-2016120813-A1 FLUOROQUINOLONE CARBOXYLIC ACID COMPOUNDS AND USE THEREOF FOR THE PREPARATION OF BESIFLOXACIN HYDROCHLORIDE MANKIND RESEARCH CENTRE (IN) 2016-08-04 WO claimed
EP-1236718-B1 Improved process for the preparation of fluoro-quinolonecarboxylic acids BAYER CHEMICALS AG (DE) 2004-08-11 EP claimed
US-6590101-B2 Hydrolysis of the corresponding C1-C4-alkyl esters with addition of water, acetic acid, and sulfuric acid using a drastically reduced amount of sulfuric acid BAYER AKTIENGESELLSCHAFT (DE) 2003-07-08 US claimed
EP-1236718-A1 Improved process for the preparation of fluoro-quinolonecarboxylic acids BAYER AG (DE) 2002-09-04 EP claimed
US-20020120138-A1 Process for the preparation of fluoroquinolonecarboxylic acids LANXESS DEUTSCHLAND GMBH (DE) 2002-08-29 US claimed
US-5468861-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US claimed
EP-0167763-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIHALO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND BACTERICIDAL AGENTS CONTAINING THEM BAYER AG (DE) 1988-08-03 EP claimed
CN-111989314-B Method for hydrolyzing quinolone formate 拜耳动物保健有限责任公司 2024-04-30 CN disclosed
EP-0167763-A1 7-Amino-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-15 EP disclosed
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 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-20020120138-A1 Process for the preparation of fluoroquinolonecarboxylic acids ADH1C, CTRC, ADH1A ALDH1A1 124/4885POLB 586/4885OPRM1 1860/4885
US-20210078950-A1 METHOD FOR THE HYDROLYSIS OF QUINOLONECARBOXYLIC ESTERS NQO2, PGD, ALAD ALDH1A1 274/4885POLB 172/4885OPRM1 2751/4885
US-10167271-B2 Fluoroquinolone carboxylic acid compounds and use thereof for the preparation of besifloxacin hydrochloride NQO2, CYP2F1, Q6ZSR9 ALDH1A1 1319/4885POLB 1113/4885OPRM1 3296/4885
US-11332444-B2 Method for the hydrolysis of quinolonecarboxylic esters NQO2, PGD, ALAD ALDH1A1 274/4885POLB 172/4885OPRM1 2751/4885
US-20170362197-A1 FLUOROQUINOLONE CARBOXYLIC ACID COMPOUNDS AND USE THEREOF FOR THE PREPARATION OF BESIFLOXACIN HYDROCHLORIDE NQO2, CYP2F1, Q6ZSR9 ALDH1A1 1319/4885POLB 1113/4885OPRM1 3296/4885

“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.