SCHEMBL25522503

SCHEMBL25522503

COCC(=O)CN1CCS/C1=N/CC#N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ PDE4B Q07343 2/20 0.31
▸ PDE4D Q08499 2/20 0.31

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
SCHEMBL9295951 0.65 MEN1 (0.45) ALDH1A1MEN1LMNATP53PKM
SCHEMBL691164 0.59 — —
SCHEMBL18287198 0.58 POLB (0.40) SMN1; SMN2GAA
SCHEMBL11476478 0.55 GRM5 (0.43) ALDH1A1MEN1LMNATP53PKM
SCHEMBL13748501 0.55 MAPT (0.47) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL626926 0.55 — —
SCHEMBL11459994 0.54 INMT (0.46) ALDH1A1MEN1LMNAMAPK1KMT2A
SCHEMBL11460318 0.54 GRM5 (0.45) ALDH1A1MEN1LMNATP53PKM
SCHEMBL11460317 0.54 GRM5 (0.45) ALDH1A1MEN1LMNATP53PKM
SCHEMBL7215120 0.53 — —

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 2 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
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 — — 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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 ALDH1A1 4376/4885MEN1 129/4885LMNA 577/4885

“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.

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