SCHEMBL26068360

SCHEMBL26068360

CC(C)C#CCNC(=O)COCCO[C@@](C)(COc1cccc(C(=O)NCCNC(C)C)c1)SC#N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ PSMB8 P28062 2/20 0.33
▸ PSMB5 P28074 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HPGD P15428 1/20 0.32

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
SCHEMBL22327377 1.00 MAOB (0.35) MAOBALDH1A1SMN1; SMN2KMT2APSMB8
SCHEMBL26068349 1.00 MAOB (0.35) MAOBALDH1A1SMN1; SMN2KMT2APSMB8
SCHEMBL25753981 0.94 MAPT (0.38) MAOBALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL22327417 0.93 KDM4E (0.36) MAOBALDH1A1SMN1; SMN2KMT2APSMB8
SCHEMBL22327218 0.93 ALDH1A1 (0.35) MAOBALDH1A1SMN1; SMN2KMT2APSMB8
SCHEMBL22598488 0.93 ALDH1A1 (0.35) MAOBALDH1A1SMN1; SMN2KMT2APSMB8
SCHEMBL22598389 0.93 ALDH1A1 (0.35) MAOBALDH1A1SMN1; SMN2KMT2APSMB8
SCHEMBL22598379 0.92 MAOB (0.35) MAOBALDH1A1SMN1; SMN2KMT2APSMB8
SCHEMBL22598234 0.92 MAOB (0.35) MAOBALDH1A1SMN1; SMN2KMT2APSMB8
SCHEMBL22598406 0.92 MAOB (0.35) MAOBALDH1A1SMN1; SMN2KMT2APSMB8

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 MAOB 1827/4885ALDH1A1 1313/4885SMN1; SMN2 1787/4885

“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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