SCHEMBL23259016

SCHEMBL23259016

Oc1ccc2c[n+](Cc3ccccc3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.57
BCHE P06276 4/20 0.57
CYP1A2 P05177 2/20 0.46
LMNA P02545 2/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHKA P35790 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL23258819 0.94 ACHE (0.57) ACHEBCHECYP1A2LMNAESR1
SCHEMBL1127774 0.81 ACHE (0.85) ACHEBCHE
SCHEMBL19102953 0.79 ACHE (0.56) ACHEBCHECYP1A2LMNAALDH1A1
Bromide SCHEMBL23535338 0.79 ACHE (0.60) ACHEBCHELMNAALDH1A1CHKA
Hydrochloric Acid SCHEMBL8870693 0.79 ACHE (0.81) ACHEBCHELMNA
Bromide SCHEMBL3601825 0.79 ACHE (0.89) ACHEBCHE
SCHEMBL23259284 0.78 BCHE (0.50) ACHEBCHECYP1A2LMNAF2
SCHEMBL19102924 0.75 ACHE (0.50) ACHEBCHECYP1A2LMNAALDH1A1
SCHEMBL8085263 0.72 LMNA (0.61) ACHEBCHECYP1A2LMNANPSR1
Bromide SCHEMBL6981181 0.70 LMNA (0.59) ACHEBCHECYP1A2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459323-B2 Monocyclic β-lactam compound for treating bacterial infection MEDSHINE DISCOVERY INC. (CN) 2022-10-04 US disclosed
US-20210115035-A1 MONOCYCLIC B-LACTAM COMPOUND FOR TREATING BACTERIAL INFECTION Shenzhen Optimum Biological Technology Co., Ltd (CN) 2021-04-22 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 (2 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-11459323-B2 Monocyclic β-lactam compound for treating bacterial infection PEPD, COASY, MRPL21 ACHE 130/4885BCHE 30/4885CYP1A2 360/4885
US-20210115035-A1 MONOCYCLIC B-LACTAM COMPOUND FOR TREATING BACTERIAL INFECTION COASY, BCAT2, PEPD ACHE 320/4885BCHE 4/4885CYP1A2 256/4885

“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.