SCHEMBL25568628

SCHEMBL25568628

NC1(CCCNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TGM2 P21980 1/20 0.55
KEAP1 Q14145 3/20 0.54
NFE2L2 Q16236 3/20 0.54
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP7 Q9UHL4 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DPP4 P27487 1/20 0.47
DPP9 Q86TI2 1/20 0.47
FOLH1 Q04609 1/20 0.47
MAPT P10636 1/20 0.47
ANPEP P15144 1/20 0.47
GAA P10253 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL25568627 0.92 LMNA (0.60) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL19342202 0.83 KEAP1 (0.47) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.82 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL15346534 0.81 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9340146 0.81 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9874334 0.81 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9276136 0.81 HTT (0.58) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL615296 0.80 HTT (0.72) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL1551249 0.79 HTT (0.53) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL4549855 0.79 LMNA (0.54) HTTLMNASMN1; SMN2TGM2SLC1A3

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
WO-2023091438-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2023-05-25 WO disclosed
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM HTT 3703/4885LMNA 1047/4885SMN1; SMN2 1717/4885

“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.