SCHEMBL20974285

SCHEMBL20974285

CC(C)(C)OC(=O)NCCNc1cccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.44
BCHE P06276 1/20 0.42
KAT2B Q92831 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
BRD4 O60885 2/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL14609884 0.87 KAT2B (0.57) MALT1BCHEKAT2BDDB1CRBN
SCHEMBL20889164 0.85 MAPT (0.38) MALT1BCHEKAT2BCA12CA1
SCHEMBL29012749 0.85 MAPT (0.38) MALT1BCHEKAT2BCA12CA1
SCHEMBL22848292 0.85 KAT2B (0.40) KAT2BMAPTKMT2ANPC1RAB9A
SCHEMBL25470877 0.82 MALT1 (0.54) MALT1BCHEDDB1CRBNCA12
SCHEMBL18342147 0.81 KAT2B (0.48) KAT2BCA12CA9MAPTKMT2A
SCHEMBL18342145 0.81 KAT2B (0.48) KAT2BCA12CA9MAPTKMT2A
SCHEMBL20974334 0.81 MALT1 (0.47) MALT1BCHEDDB1CRBNCA12
SCHEMBL2982740 0.81 NPC1 (0.59) MALT1BCHEKAT2BBRD4MAPT
SCHEMBL29655446 0.81 NPC1 (0.59) MALT1BCHEKAT2BBRD4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 CN disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 MALT1 285/4885BCHE 160/4885KAT2B 3897/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MALT1 285/4885BCHE 160/4885KAT2B 3897/4885

“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.