SCHEMBL22327386

SCHEMBL22327386

CC(C)COCCOC(COc1cccc(C(=O)NCCNC(C)C)c1)N=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KAT6A Q92794 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22327368 0.93 GAA (0.43) NR1H4MAPTGAAKMT2AADRB2
SCHEMBL23957821 0.92 NR1H4 (0.41) NR1H4MAPTGAAKAT6AKMT2A
SCHEMBL23957822 0.92 GAA (0.43) NR1H4MAPTGAAKAT6AKMT2A
SCHEMBL23106299 0.91 GAA (0.38) NR1H4MAPTGAAKMT2AADRB2
SCHEMBL22327367 0.91 GAA (0.48) NR1H4MAPTGAAKMT2AADRB2
SCHEMBL23502901 0.89 GAA (0.36) NR1H4MAPTGAAKMT2AADRB2
SCHEMBL23879737 0.88 GAA (0.35) NR1H4MAPTGAAKMT2AADRB2
SCHEMBL23106232 0.86 SMN1; SMN2 (0.37) MAPTGAAKMT2AADRB2ADRB1
SCHEMBL24877167 0.86 ALDH1A1 (0.38) NR1H4MAPTGAAKMT2AADRB2
SCHEMBL23502904 0.86 ALDH1A1 (0.36) MAPTGAAKMT2AADRB2ADRB1

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 3 patents. 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
US-20230002436-A1 MODIFIED NUCLEOTIDES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-05 — — US disclosed
US-10738072-B1 Nucleotide analogues Singular Genomics Systems, Inc. (US) 2020-08-11 — — 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 (3 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-20230002436-A1 MODIFIED NUCLEOTIDES AND USES THEREOF NUDT1, RNMT, ADAR NR1H4 4394/4885MAPT 4693/4885GAA 668/4885
US-20230257414-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 NR1H4 3934/4885MAPT 4328/4885GAA 1026/4885
US-10738072-B1 Nucleotide analogues NUDT1, POLN, TYMP NR1H4 2418/4885MAPT 4520/4885GAA 759/4885

“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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