SCHEMBL2453531

SCHEMBL2453531

O=C(O)N1CCC(N2CCC(Br)C2=O)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL3 Q96JM7 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
FPR2 P25090 5/20 0.32
KDM5A P29375 1/20 0.30

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
SCHEMBL789030 0.90 MEN1 (0.36) MEN1KMT2AL3MBTL3L3MBTL1FPR2
SCHEMBL29249364 0.81 ALDH1A1 (0.33) MEN1KMT2AL3MBTL3L3MBTL1FPR2
SCHEMBL2456120 0.79 FPR2 (0.50) FPR2
SCHEMBL6968586 0.77 L3MBTL1 (0.36) L3MBTL1FPR2
SCHEMBL7516937 0.74 MEN1 (0.37) MEN1KMT2AFPR2
SCHEMBL18115882 0.72 TGM2 (0.40) KMT2AL3MBTL3L3MBTL1KDM5A
SCHEMBL18115885 0.72 TGM2 (0.40) KMT2AL3MBTL3L3MBTL1KDM5A
SCHEMBL29199110 0.72 L3MBTL3 (0.36) KMT2AL3MBTL3L3MBTL1KDM5A
SCHEMBL789786 0.72 FPR2 (0.55) KMT2AFPR2
SCHEMBL23297156 0.71 MEN1 (0.37) MEN1KMT2AL3MBTL3L3MBTL1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 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 (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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M MEN1 2327/4885KMT2A 873/4885L3MBTL3 1335/4885

“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.