SCHEMBL25830630

SCHEMBL25830630

NCCOCCOCCOCCNc1nc(Nc2cccc(O)c2)nc(Nc2ccc(O)c3ccccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.42
▸ IDO1 P14902 2/20 0.41

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
SCHEMBL18385065 1.00 KCNH3 (0.46) KCNH3TAAR1IDO1
SCHEMBL18391969 0.90 KCNH3 (0.58) KCNH3TAAR1
SCHEMBL17130325 0.89 IDO1 (0.53) KCNH3TAAR1IDO1
SCHEMBL18385063 0.83 EGFR (0.43) —
SCHEMBL17130308 0.83 EGFR (0.43) —
SCHEMBL12833288 0.79 KCNH3 (0.64) KCNH3
SCHEMBL18391971 0.79 CDC25B (0.48) TAAR1
SCHEMBL13223236 0.77 CDC25B (0.48) TAAR1
SCHEMBL12387589 0.77 SYK (0.48) TAAR1
SCHEMBL17130323 0.76 CDC25B (0.45) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701429-B2 Targeted drug delivery through affinity based linkers Akamara Therapeutics, Inc. (US) 2023-07-18 — — 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-11701429-B2 Targeted drug delivery through affinity based linkers ABCG2, FCGR2A, ABCB1 KCNH3 3957/4885TAAR1 1689/4885IDO1 3948/4885

“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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