SCHEMBL26349182

SCHEMBL26349182

[N-]=[N+]=NCCOCCOCCOCCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 1/20 0.39
▸ MGLL Q99685 1/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ABCG2 Q9UNQ0 4/20 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
SCHEMBL30455579 1.00 MGMT (0.39) MGMTMGLLCA12CA1CA2
SCHEMBL30459733 1.00 MGMT (0.39) MGMTMGLLCA12CA1CA2
SCHEMBL25495612 0.86 MGMT (0.42) MGMTMGLLABCG2
SCHEMBL17262434 0.84 MGMT (0.40) MGMTMGLLABCG2
SCHEMBL30458078 0.82 MGMT (0.42) MGMTMGLLCA12CA1CA2
SCHEMBL26349179 0.82 MGMT (0.42) MGMTMGLLCA12CA1CA2
SCHEMBL28194378 0.82 MGLL (0.43) MGLLCA12CA1CA2CA4
SCHEMBL18212282 0.78 MGMT (0.40) MGMTMGLLABCG2
SCHEMBL26349168 0.78 MGMT (0.43) MGMTMGLLABCG2
SCHEMBL29199650 0.77 HPGD (0.49) MGMT

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 2029/4885CA12 3192/4885

“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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