SCHEMBL25753972

SCHEMBL25753972

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ SMPD1 P17405 3/20 0.34
▸ DRD2 P14416 4/20 0.34
▸ DRD4 P21917 4/20 0.34
▸ DRD3 P35462 4/20 0.34
▸ REN P00797 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
SCHEMBL26167764 0.95 ALDH1A1 (0.36) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL22327196 0.91 ALDH1A1 (0.36) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL25753752 0.90 ALDH1A1 (0.36) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL26167941 0.89 MAOB (0.41) KMT2AALDH1A1SMN1; SMN2NR1H4MAOB
SCHEMBL23106220 0.83 ALDH1A1 (0.37) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL26010471 0.83 ALDH1A1 (0.37) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL25753973 0.83 MAPT (0.35) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL24002371 0.83 ALDH1A1 (0.37) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL26167914 0.82 HPGD (0.40) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL26319090 0.81 MAOB (0.40) GAAMAPTKMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS Singular Genomics Systems, Inc. 2023-09-21 — — US disclosed
US-20230265505-A1 METHODS AND COMPOSITIONS FOR REDUCING NUCLEOTIDE IMPURITIES FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-24 — — US disclosed
US-20230257414-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-17 — — US disclosed
US-20230227798-A1 MODIFIED THERMOCCOCUS POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2023-07-20 — — US disclosed
US-11697736-B2 Silicon containing detectable compounds Singular Genomics Systems, Inc. (US) 2023-07-11 — — US disclosed
US-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 — — US disclosed
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 — — 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 (4 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-11697736-B2 Silicon containing detectable compounds AS3MT, SCLY, NASP GAA 251/4885MAPT 4045/4885KMT2A 3136/4885
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS AS3MT, SCLY, NASP GAA 251/4885MAPT 4045/4885KMT2A 3136/4885
US-20230257414-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 GAA 1026/4885MAPT 4328/4885KMT2A 1334/4885
US-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 GAA 1026/4885MAPT 4328/4885KMT2A 1334/4885

“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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