SCHEMBL23857533

SCHEMBL23857533

O=C(O)NCCC1CN(c2ccc3c(c2)NC(=O)CO3)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
NR3C2 P08235 2/20 0.41
PARP1 P09874 1/20 0.41
MMP12 P39900 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL23856940 0.86 TRPV1 (0.42) ALDH1A1KMT2ASMN1; SMN2NPSR1TRPV1
SCHEMBL30253390 0.86 TRPV1 (0.42) ALDH1A1KMT2ASMN1; SMN2NPSR1TRPV1
SCHEMBL1712073 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1TRPV1
SCHEMBL1711902 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1TRPV1
SCHEMBL1711906 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1TRPV1
SCHEMBL1845036 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1TRPV1
SCHEMBL1845035 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1TRPV1
SCHEMBL23856773 0.83 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2NPSR1TRPV1
SCHEMBL23856774 0.83 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2NPSR1TRPV1
SCHEMBL591583 0.83 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1TRPV1

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 4 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
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP 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 842/4885KMT2A 3563/4885SMN1; SMN2 4067/4885

“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.