SCHEMBL26068680

SCHEMBL26068680

CCNCCCOCCOCCOCCNC(=O)c1cccc(OCC(C)(N=[N+]=[N-])OCCOCC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAOB P27338 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ F10 P00742 2/20 0.35
▸ GHSR Q92847 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KAT6A Q92794 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL24849853 0.92 GAA (0.41) GAAMAPTMAOBALDH1A1KMT2A
SCHEMBL22327387 0.91 MAPT (0.41) GAAMAPTMAOBALDH1A1KMT2A
SCHEMBL26068743 0.86 GAA (0.44) GAAMAPTMAOBALDH1A1KMT2A
SCHEMBL22327385 0.86 KAT6A (0.38) GAAMAPTMAOBALDH1A1KMT2A
SCHEMBL24971565 0.84 MAPT (0.41) GAAMAPTMAOBALDH1A1KMT2A
SCHEMBL24023162 0.82 MAPT (0.40) GAAMAPTMAOBALDH1A1KMT2A
SCHEMBL22598297 0.82 MAPT (0.55) GAAMAPTMAOBALDH1A1KMT2A
SCHEMBL26167727 0.79 GAA (0.35) GAAMAPTMAOBALDH1A1KMT2A
SCHEMBL25753948 0.78 MAPT (0.37) GAAMAPTMAOBALDH1A1KMT2A
SCHEMBL26010442 0.78 MAPT (0.39) GAAMAPTMAOBALDH1A1KMT2A

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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