SCHEMBL23857031

SCHEMBL23857031

CCOC(=O)C1Cc2cccc(C#N)c2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP11B2 P19099 1/20 0.41
NLRP3 Q96P20 1/20 0.40
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1D1 P20393 1/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 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
SCHEMBL30047197 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL3948889 0.84 CYP11B2 (0.44) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL7221370 0.82 CA12 (0.46) ALDH1A1KDM4EKMT2A
SCHEMBL23856566 0.81 KDM4E (0.48) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL23856770 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL30047231 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL30049087 0.81 KDM4E (0.48) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL23857215 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL30046654 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL1081495 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 842/4885SMN1; SMN2 4067/4885KDM4E 4195/4885

“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.