SCHEMBL23856563

SCHEMBL23856563

Cc1nc(Cl)c(C(=O)O)cc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.70
NFE2L2 Q16236 1/20 0.70
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.40
FTO Q9C0B1 1/20 0.39
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 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
SCHEMBL29214521 0.85 KEAP1 (0.70) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL4144906 0.84 KEAP1 (0.49) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL16616066 0.82 KEAP1 (0.55) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL113812 0.82 KEAP1 (1.00) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL29744459 0.82 KEAP1 (1.00) KEAP1NFE2L2ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL919985 0.81 KEAP1 (0.96) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL31344260 0.81 KEAP1 (0.53) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL9703855 0.81 KEAP1 (0.53) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL10564551 0.81 KEAP1 (0.53) KEAP1NFE2L2ALDH1A1HPGDKDM4E
SCHEMBL114292 0.81 KEAP1 (0.46) KEAP1NFE2L2ALDH1A1HPGDKDM4E

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-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
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US 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
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
CN-107001342-B Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
CN-105636646-B Azaindole compounds, its synthesis and its application method 全球结核病药物研发联盟 2017-12-19 CN disclosed
CN-106536489-A Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2017-03-22 CN 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 (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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 KEAP1 599/4885NFE2L2 1382/4885ALDH1A1 842/4885

“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.