SCHEMBL25280932

SCHEMBL25280932

[N-]=[N+]=NCCOCCOCCOCCN1C(=O)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 1/20 0.43
▸ GAA P10253 2/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ ABCG2 Q9UNQ0 6/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CRBN Q96SW2 1/20 0.32
▸ FGF2 P09038 1/20 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
SCHEMBL29009049 0.80 MGLL (0.67) MGMTMGLLABCG2ALDH1A1CRBN
SCHEMBL26349168 0.80 MGMT (0.43) MGMTGAAMGLLPOLBABCG2
SCHEMBL27252888 0.80 MGLL (0.67) MGMTMGLLABCG2ALDH1A1CRBN
SCHEMBL25495610 0.80 MGLL (0.67) MGMTMGLLABCG2ALDH1A1CRBN
SCHEMBL14645284 0.80 MGMT (0.46) MGMTGAAMGLLABCG2CRBN
SCHEMBL13695964 0.80 MGLL (0.67) MGMTMGLLABCG2ALDH1A1CRBN
SCHEMBL25495612 0.79 MGMT (0.42) MGMTMGLLABCG2
SCHEMBL21117957 0.77 GAA (0.33) MGMTGAAPOLBALDH1A1CRBN
SCHEMBL17262434 0.77 MGMT (0.40) MGMTGAAMGLLABCG2
SCHEMBL18212282 0.77 MGMT (0.40) MGMTGAAMGLLABCG2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024005461-A1 NOVEL LINKER COMPOUND AND LIGAND-DRUG CONJUGATE THEREFOR 주식회사 트리오어 2024-01-04 — — WO disclosed
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
EP-4192468-A2 HETEROARYL AND HETEROCYCLYL COMPOUNDS Sigilon Therapeutics, Inc. (US) 2023-06-14 — — EP 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 2441/4885GAA 294/4885MGLL 2029/4885

“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.

Send feedback