SCHEMBL23366318

SCHEMBL23366318

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53BP1 Q12888 4/20 0.47
▸ DGAT1 O75907 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KAT6A Q92794 2/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL23366317 0.83 TP53BP1 (0.53) TP53BP1DGAT1ALDH1A1NR1H4LMNA
SCHEMBL24518132 0.80 TP53BP1 (0.38) TP53BP1DGAT1ALDH1A1LMNAKMT2A
SCHEMBL24555199 0.78 TP53BP1 (0.47) TP53BP1DGAT1ALDH1A1NR1H4LMNA
SCHEMBL22545191 0.77 TP53BP1 (0.52) TP53BP1DGAT1ALDH1A1LMNAKMT2A
SCHEMBL21308043 0.74 ALDH1A1 (0.45) ALDH1A1NR1H4KMT2ASMN1; SMN2GAA
SCHEMBL16024506 0.73 SPHK2 (0.44) ALDH1A1NR1H4LMNAKMT2ASMN1; SMN2
SCHEMBL21575547 0.73 GAA (0.36) DGAT1ALDH1A1NR1H4LMNAKMT2A
SCHEMBL23957821 0.72 NR1H4 (0.41) ALDH1A1NR1H4LMNAKMT2AGAA
SCHEMBL21307971 0.72 KMT2A (0.42) ALDH1A1NR1H4KMT2ASMN1; SMN2GAA
SCHEMBL22327386 0.72 NR1H4 (0.41) ALDH1A1NR1H4KMT2ASMN1; SMN2GAA

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-11008359-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2021-05-18 — — 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-11008359-B2 Labelled nucleotides NUDT1, DUT, NT5C2 TP53BP1 3200/4885DGAT1 3028/4885ALDH1A1 1001/4885

“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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