SCHEMBL4755907

SCHEMBL4755907

CC(C)(C)OC(=O)NCCCn1cccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 6/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CYP3A4 P08684 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
DYRK1A Q13627 1/20 0.41
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
PCSK9 Q8NBP7 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
SCHEMBL28230841 0.92 TDP1 (0.43) TDP1MEN1GAAKMT2ADRD2
SCHEMBL24192232 0.85 IDO1 (0.39) TDP1MEN1GAAKMT2ADRD2
SCHEMBL31758007 0.81 PCSK9 (0.45) MEN1GAAKMT2APCSK9
SCHEMBL13712849 0.81 TDP1 (0.54) TDP1MEN1GAAKMT2ADRD2
SCHEMBL23609070 0.78 TDP1 (0.48) TDP1MEN1GAAKMT2ADRD2
SCHEMBL22755596 0.77 TDP1 (0.44) TDP1MEN1GAAKMT2ADRD2
SCHEMBL22755543 0.77 TDP1 (0.48) TDP1MEN1GAAKMT2ADRD2
SCHEMBL3508341 0.77 FPR3 (0.43) KMT2AALDH1A1
SCHEMBL22012670 0.77 TDP1 (0.47) TDP1MEN1GAAKMT2ADRD2
SCHEMBL22366404 0.76 TDP1 (0.46) TDP1MEN1GAAKMT2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368040-B Diaryl monocyclic beta-lactam compounds and methods for their use in the treatment of bacterial infections 默沙东有限责任公司 2024-08-23 CN 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
CN-110167933-A Azole amides and amines as α V integrin inhibitors 百时美施贵宝公司 2019-08-23 CN disclosed
CN-108368040-A Diaryl monocyclic β -lactam compounds and methods of use thereof for treating bacterial infections 默沙东公司 2018-08-03 CN disclosed
EP-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 WO 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 4677/4885MEN1 2471/4885GAA 282/4885

“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.