SCHEMBL24574716

SCHEMBL24574716

CN[C@H](C(=O)NC(C(=O)N(C)[C@H](/C=C(\C)C(=O)NCCC(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24574538 0.96 TUBB1 (0.47) TUBB1KDM4EHPGDHSD17B10
SCHEMBL22316538 0.91 TUBB1 (0.48) TUBB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22315956 0.89 TUBB1 (0.47) TUBB1ALDH1A1SMN1; SMN2
SCHEMBL24410216 0.89 TUBB1 (0.45) TUBB1
SCHEMBL22316494 0.89 TUBB1 (0.47) TUBB1ALDH1A1SMN1; SMN2
SCHEMBL24410219 0.89 TUBB1 (0.45) TUBB1
SCHEMBL24574723 0.89 TUBB1 (0.45) TUBB1
SCHEMBL22315958 0.89 TUBB1 (0.49) TUBB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL24574908 0.89 TUBB1 (0.45) TUBB1
SCHEMBL24574907 0.89 TUBB1 (0.45) TUBB1

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-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 — — 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-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 TUBB1 119/4885ALDH1A1 24/4885SMN1; SMN2 1115/4885

“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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