SCHEMBL29359571

SCHEMBL29359571

Cn1c(Br)cn(CCCNC(=O)OC(C)(C)C)/c1=N/C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 8/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CAMK2D Q13557 3/20 0.38
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PDPK1 O15530 1/20 0.36
CCNB2 O95067 1/20 0.36
PRKCB P05771 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL29891854 1.00 TDP1 (0.40) TDP1DRD2MEN1GAAKMT2A
SCHEMBL22442538 0.91 MEN1 (0.41) TDP1DRD2MEN1GAAKMT2A
SCHEMBL18991397 0.91 CAMK2D (0.31) DRD2MEN1GAAKMT2ACAMK2D
SCHEMBL22442540 0.91 MEN1 (0.41) TDP1DRD2MEN1GAAKMT2A
SCHEMBL29359301 0.86 TDP1 (0.40) TDP1DRD2MEN1GAAKMT2A
SCHEMBL18991337 0.83 MEN1 (0.38) TDP1DRD2MEN1GAAKMT2A
SCHEMBL29354761 0.82 KDM4E (0.34) KMT2AALDH1A1GFER
SCHEMBL29357820 0.82 TDP1 (0.44) TDP1DRD2MEN1GAAKMT2A
SCHEMBL29357787 0.76 SERPINE1 (0.34)
SCHEMBL20567224 0.76

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
EP-3978472-B1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-10-16 EP disclosed
EP-3978472-A1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2022-04-06 EP disclosed
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP. (US) 2022-01-25 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-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX TDP1 4677/4885DRD2 3290/4885MEN1 2471/4885

“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.