SCHEMBL23856546

SCHEMBL23856546

CCOC(=O)C1Cc2c(F)cnc(Br)c2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIMK1 P53667 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP11B2 P19099 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL30047006 1.00 KDM4E (0.40) KDM4EALDH1A1KMT2ATSHRMAPK1
SCHEMBL23857620 0.86 KMT2A (0.41) KDM4EALDH1A1KMT2ATSHRMAPK1
SCHEMBL30048925 0.86 KMT2A (0.41) KDM4EALDH1A1KMT2ATSHRMAPK1
SCHEMBL30046792 0.86 ALDH1A1 (0.39) KDM4EALDH1A1KMT2ATSHRMAPK1
SCHEMBL23856900 0.86 ALDH1A1 (0.39) KDM4EALDH1A1KMT2ATSHRMAPK1
SCHEMBL23857269 0.79 ALDH1A1 (0.50) KDM4EALDH1A1KMT2ATSHRMAPK1
SCHEMBL30047239 0.79 ALDH1A1 (0.50) KDM4EALDH1A1KMT2ATSHRMAPK1
SCHEMBL23856654 0.78 ALDH1A1 (0.38) KDM4EALDH1A1KMT2ATSHRMAPK1
SCHEMBL23857419 0.78 CYP1A2 (0.33) KDM4ETSHR
SCHEMBL30047286 0.78 CYP1A2 (0.33) KDM4ETSHR

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 8 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

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 KDM4E 4195/4885ALDH1A1 842/4885KMT2A 3563/4885

“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.