SCHEMBL26319090

SCHEMBL26319090

C#CCNC(=O)COCCOC(COc1cccc(C(=O)NCCN)c1)N=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ F10 P00742 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ SPHK2 Q9NRA0 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ LOX P28300 2/20 0.34
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33

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
SCHEMBL24370727 0.92 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2F10HDAC3SPHK2
SCHEMBL13634584 0.88 F10 (0.42) ALDH1A1SMN1; SMN2F10HDAC3SPHK2
SCHEMBL21546126 0.88 F10 (0.42) ALDH1A1SMN1; SMN2F10HDAC3SPHK2
SCHEMBL30587015 0.88 F10 (0.42) ALDH1A1SMN1; SMN2F10HDAC3SPHK2
SCHEMBL24370728 0.88 MAOB (0.44) MAOBALDH1A1SMN1; SMN2F10HDAC3
SCHEMBL13525981 0.86 F10 (0.38) ALDH1A1F10HDAC3SPHK2GAA
SCHEMBL26167876 0.86 LOX (0.43) ALDH1A1SMN1; SMN2F10HDAC3SPHK2
SCHEMBL23106220 0.83 ALDH1A1 (0.37) MAOBALDH1A1SMN1; SMN2HDAC3GAA
SCHEMBL26010471 0.83 ALDH1A1 (0.37) MAOBALDH1A1SMN1; SMN2F10HDAC3
SCHEMBL24199561 0.83 F10 (0.40) ALDH1A1F10HDAC3SPHK2GAA

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-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 — — US disclosed
EP-4234566-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI Shenzhen (CN) 2023-08-30 — — 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-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 MAOB 1512/4885ALDH1A1 1758/4885SMN1; SMN2 2470/4885

“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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