SCHEMBL30744243

SCHEMBL30744243

[N-]=[N+]=Nc1ccc(COC(=O)NCCCCC(N)C(=O)OC2COC(n3cnc4c(N)ncnc43)C2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 3/20 0.49
▸ PRKACA P17612 3/20 0.44
▸ PRMT1 Q99873 2/20 0.42
▸ NNMT P40261 1/20 0.42
▸ AHCY P23526 1/20 0.41
▸ QARS1 P47897 1/20 0.39
▸ ROCK2 O75116 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
SCHEMBL29540124 0.90 DOT1L (0.61) DOT1LPRKACAPRMT1NNMTAHCY
SCHEMBL29540296 0.81 KLK7 (0.42) DOT1LPRKACAROCK2
SCHEMBL16288362 0.77 RNASEL (0.42) DOT1L
SCHEMBL16288361 0.77 RNASEL (0.42) DOT1L
SCHEMBL16288376 0.77 RNASEL (0.42) DOT1L
SCHEMBL16288372 0.77 RNASEL (0.42) DOT1L
SCHEMBL16288365 0.77 RNASEL (0.42) DOT1L
SCHEMBL15083478 0.77 RNASEL (0.42) DOT1L
SCHEMBL16310602 0.77 RNASEL (0.42) DOT1L
SCHEMBL23056438 0.77 DOT1L (0.43) DOT1LPRKACA

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-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 — — 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-11891457-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R DOT1L 4554/4885PRKACA 987/4885PRMT1 2238/4885

“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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