SCHEMBL25202045

SCHEMBL25202045

Cn1c(=O)c2c(nc(SCc3ccccc3Cl)n2C)n(C)c1=O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
MAOA P21397 11/20 0.70
MAOB P27338 11/20 0.70
ALDH1A1 P00352 3/20 0.60
HTT P42858 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL25201006 0.91 POLB (0.68) POLBMAOAMAOBALDH1A1HTT
SCHEMBL30422904 0.87 POLB (0.63) POLBMAOAMAOBALDH1A1HTT
SCHEMBL25203854 0.87 POLB (0.63) POLBMAOAMAOBALDH1A1HTT
SCHEMBL25231511 0.86 MAOA (0.69) POLBMAOAMAOB
SCHEMBL25199656 0.86 MAOB (0.71) POLBMAOAMAOBALDH1A1HTT
SCHEMBL25210141 0.85 POLB (1.00) POLBMAOAMAOBALDH1A1HTT
SCHEMBL25226367 0.85 POLB (0.74) POLBMAOAMAOBHTTTSHR
SCHEMBL25205968 0.84 POLB (0.73) POLBMAOAMAOBALDH1A1HTT
SCHEMBL25204998 0.83 POLB (0.71) POLBMAOAMAOBHTTTSHR
SCHEMBL25236281 0.82 POLB (0.70) POLBMAOAMAOBALDH1A1HTT

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
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
CN-110573509-B MLKL inhibitors 北京生命科学研究所 2023-05-26 CN disclosed
CN-110573509-A MLKL inhibitors 北京生命科学研究所 2019-12-13 CN 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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 POLB 2780/4885MAOA 4584/4885MAOB 4517/4885

“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.