SCHEMBL25205203

SCHEMBL25205203

Cn1c(=O)c2c(nc(SCc3ccccc3C(N)=O)n2C)n(C)c1=O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
MAOA P21397 9/20 0.64
MAOB P27338 9/20 0.64
ALDH1A1 P00352 4/20 0.61
RXFP1 Q9HBX9 2/20 0.58
TSHR P16473 2/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL25226367 0.81 POLB (0.74) POLBMAOAMAOBRXFP1TSHR
SCHEMBL25202045 0.81 POLB (0.74) POLBMAOAMAOBALDH1A1TSHR
SCHEMBL25210141 0.81 POLB (1.00) POLBMAOAMAOBALDH1A1RXFP1
SCHEMBL25205968 0.81 POLB (0.73) POLBMAOAMAOBALDH1A1RXFP1
SCHEMBL25204998 0.80 POLB (0.71) POLBMAOAMAOBRXFP1TSHR
SCHEMBL25236281 0.79 POLB (0.70) POLBMAOAMAOBALDH1A1RXFP1
SCHEMBL25206902 0.78 MAOB (1.00) POLBMAOAMAOBALDH1A1RXFP1
SCHEMBL25209395 0.78 POLB (0.69) POLBMAOAMAOBALDH1A1RXFP1
SCHEMBL25201006 0.77 POLB (0.68) POLBMAOAMAOBALDH1A1RXFP1
SCHEMBL21602428 0.77 ALDH1A1 (0.44) POLBMAOAMAOBALDH1A1RXFP1

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.