SCHEMBL26349218

SCHEMBL26349218

[N-]=[N+]=NCCOCCOCCOCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(CCOCCOCCOCCN=[N+]=[N-])C4=O)cc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ENPP2 Q13822 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL26349201 0.85 KDM4E (0.49) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL26349189 0.82 MGMT (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL29199650 0.82 HPGD (0.49) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL13159369 0.81 ALDH1A1 (0.58) ALDH1A1TSHRENPP2SMN1; SMN2POLB
SCHEMBL26349215 0.81 ALDH1A1 (0.38) ALDH1A1TSHRPOLBHPGD
SCHEMBL14499669 0.81 HPGD (0.50) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL26349212 0.78 MGMT (0.34) ALDH1A1TSHRNPC1RAB9AHPGD
SCHEMBL26349204 0.77 ALDH1A1 (0.45) ALDH1A1POLBHPGDTDP1MEN1
SCHEMBL25495612 0.72 MGMT (0.42) —
SCHEMBL10491216 0.72 ALDH1A1 (0.82) ALDH1A1TSHRENPP2SMN1; SMN2POLB

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 ALDH1A1 296/4885TSHR 3057/4885ENPP2 2287/4885

“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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