SCHEMBL26068352

SCHEMBL26068352

CC(C)NCCCOCCOCCOCCNC(=O)c1cccc(OC[C@H](C)SC#N)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAOB P27338 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ F10 P00742 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL26068358 1.00 GAA (0.48) GAAMAPTMAOBALDH1A1F10
SCHEMBL26068346 0.88 GAA (0.48) GAAMAPTMAOBALDH1A1F10
SCHEMBL26068339 0.88 GAA (0.48) GAAMAPTMAOBALDH1A1F10
SCHEMBL22219850 0.87 MAPT (0.54) GAAMAPTMAOBALDH1A1F10
SCHEMBL26168185 0.85 GAA (0.53) GAAMAPTMAOBALDH1A1F10
SCHEMBL24849899 0.82 GAA (0.52) GAAMAPTMAOBALDH1A1KDM4E
SCHEMBL22327273 0.82 GAA (0.41) GAAMAPTMAOBALDH1A1F10
SCHEMBL22327084 0.81 GAA (0.42) GAAMAPTMAOBALDH1A1KDM4E
SCHEMBL22219742 0.81 NR1H4 (0.52) GAAMAPTMAOBALDH1A1F10
SCHEMBL26049742 0.81 GAA (0.44) GAAMAPTMAOBALDH1A1F10

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-20230257414-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-17 — — 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-20230257414-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 GAA 1026/4885MAPT 4328/4885MAOB 1827/4885

“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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