SCHEMBL6662423

SCHEMBL6662423

O=C(O)c1cn(C2(F)CC2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 10/20 0.42
LMNA P02545 5/20 0.42
HSD17B10 Q99714 5/20 0.42
HPGD P15428 5/20 0.42
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
BRD4 O60885 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7889768 0.82 KMT2A (0.59) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL8091157 0.82 KDM4E (0.42) ALDH1A1DRD3KDM4ELMNAHSD17B10
SCHEMBL30181414 0.77 ALDH1A1 (0.39) ALDH1A1DRD3KDM4ELMNAHSD17B10
SCHEMBL9008350 0.77 ALDH1A1 (0.39) ALDH1A1DRD3KDM4ELMNAHSD17B10
SCHEMBL9626497 0.77 ALDH1A1 (0.41) ALDH1A1DRD3KDM4ELMNAHSD17B10
SCHEMBL9381103 0.76 LMNA (0.50) ALDH1A1DRD3KDM4ELMNAHSD17B10
SCHEMBL29442121 0.74 KDM4E (0.69) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL501238 0.74 KDM4E (0.69) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL6217085 0.74 KMT2A (0.46) ALDH1A1DRD3KDM4ELMNAHSD17B10
SCHEMBL3976539 0.73 CHRM1 (0.37) ALDH1A1KDM4ELMNAHSD17B10HPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20020120138-A1 Process for the preparation of fluoroquinolonecarboxylic acids LANXESS DEUTSCHLAND GMBH (DE) 2002-08-29 US claimed
EP-3784656-B1 PROCESS FOR THE HYDROLYSIS OF QUINOLONE CARBOXYLIC ESTERS ELANCO ANIMAL HEALTH GMBH (DE) 2023-06-28 EP disclosed
US-11332444-B2 Method for the hydrolysis of quinolonecarboxylic esters BAYER ANIMAL HEALTH GMBH (DE) 2022-05-17 US disclosed
US-20210078950-A1 METHOD FOR THE HYDROLYSIS OF QUINOLONECARBOXYLIC ESTERS ELANCO ANIMAL HEALTH GMBH (DE) 2021-03-18 US disclosed
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 disclosed
US-20020120138-A1 Process for the preparation of fluoroquinolonecarboxylic acids LANXESS DEUTSCHLAND GMBH (DE) 2002-08-29 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 (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-20020120138-A1 Process for the preparation of fluoroquinolonecarboxylic acids ADH1C, CTRC, ADH1A ALDH1A1 124/4885DRD3 1628/4885KDM4E 2934/4885
US-20210078950-A1 METHOD FOR THE HYDROLYSIS OF QUINOLONECARBOXYLIC ESTERS NQO2, PGD, ALAD ALDH1A1 274/4885DRD3 2330/4885KDM4E 2839/4885
US-11332444-B2 Method for the hydrolysis of quinolonecarboxylic esters NQO2, PGD, ALAD ALDH1A1 274/4885DRD3 2330/4885KDM4E 2839/4885

“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.