SCHEMBL22442538

SCHEMBL22442538

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 7/20 0.39
CAMK2D Q13557 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
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

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
SCHEMBL22442540 1.00 MEN1 (0.41) MEN1GAAKMT2ATDP1DRD2
SCHEMBL29359571 0.91 TDP1 (0.40) MEN1GAAKMT2ATDP1DRD2
SCHEMBL29891854 0.91 TDP1 (0.40) MEN1GAAKMT2ATDP1DRD2
SCHEMBL29359301 0.86 TDP1 (0.40) MEN1GAAKMT2ATDP1DRD2
SCHEMBL18991337 0.85 MEN1 (0.38) MEN1GAAKMT2ATDP1DRD2
SCHEMBL18991397 0.84 CAMK2D (0.31) MEN1GAAKMT2ADRD2CAMK2D
SCHEMBL18991093 0.82 KDM4E (0.34) MEN1GAAKMT2AALDH1A1GFER
SCHEMBL29357820 0.82 TDP1 (0.44) MEN1GAAKMT2ATDP1DRD2
SCHEMBL29354761 0.73 KDM4E (0.34) KMT2AALDH1A1GFER
SCHEMBL25381100 0.71 CAMK2D (0.48) MEN1GAAKMT2ATDP1DRD2

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-3691639-B1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
US-11433055-B2 Chromane monobactam compounds for the treatment of bacterial infections MERCK SHARP & DOHME LLC (US) 2022-09-06 US disclosed
US-20200297702-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-09-24 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-11433055-B2 Chromane monobactam compounds for the treatment of bacterial infections MGAM, MGAM2, CMBL MEN1 487/4885GAA 370/4885KMT2A 1814/4885
US-20200297702-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, CMBL MEN1 583/4885GAA 355/4885KMT2A 1876/4885

“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.