SCHEMBL26349168

SCHEMBL26349168

[N-]=[N+]=NCCOCCOCCOCCN1C(=O)C2C(C1=O)C1C(=O)N(CCOCCOCCOCCN=[N+]=[N-])C(=O)C21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 1/20 0.43
▸ MGLL Q99685 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ ABCG2 Q9UNQ0 6/20 0.33
▸ GAA P10253 1/20 0.30

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
SCHEMBL13695964 0.80 MGLL (0.67) MGMTMGLLALDH1A1PKMMAPT
SCHEMBL29009049 0.80 MGLL (0.67) MGMTMGLLALDH1A1PKMMAPT
SCHEMBL27252888 0.80 MGLL (0.67) MGMTMGLLALDH1A1PKMMAPT
SCHEMBL25280932 0.80 MGMT (0.43) MGMTMGLLALDH1A1POLBABCG2
SCHEMBL14645284 0.80 MGMT (0.46) MGMTMGLLABCG2GAA
SCHEMBL25495610 0.80 MGLL (0.67) MGMTMGLLALDH1A1PKMMAPT
SCHEMBL25495612 0.79 MGMT (0.42) MGMTMGLLABCG2
SCHEMBL30455579 0.78 MGMT (0.39) MGMTMGLLABCG2
SCHEMBL30459733 0.78 MGMT (0.39) MGMTMGLLABCG2
SCHEMBL26349182 0.78 MGMT (0.39) MGMTMGLLABCG2

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-20230303502-A1 HETEROARYL AND HETEROCYCLYL COMPOUNDS SIGILON THERAPEUTICS, INC. 2023-09-28 — — US disclosed
US-20230303502-A1 HETEROARYL AND HETEROCYCLYL COMPOUNDS SIGILON THERAPEUTICS, INC. 2023-09-28 — — 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-20230303502-A1 HETEROARYL AND HETEROCYCLYL COMPOUNDS CYP3A43, CYP2C9, CYP2C19 MGMT 2441/4885MGLL 2029/4885ALDH1A1 296/4885

“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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