SCHEMBL19009010

SCHEMBL19009010

CCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.81
CHAT P28329 2/20 0.78
EP300 Q09472 4/20 0.76
KAT5 Q92993 2/20 0.76
AURKA O14965 2/20 0.76
KAT2B Q92831 1/20 0.76
CREBBP Q92793 1/20 0.72

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
SCHEMBL16974407 1.00 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL4436576 1.00 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL19009003 1.00 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL4587701 1.00 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL27596832 0.99 NAA50 (0.82) NAA50CHATEP300KAT5AURKA
SCHEMBL3194348 0.98 NAA50 (0.83) NAA50CHATEP300KAT5AURKA
SCHEMBL26677033 0.96 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL285429 0.96 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL30046331 0.96 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL22749496 0.95 NAA50 (0.82) NAA50CHATEP300KAT5AURKA

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-20170176436-A1 METHODS (AMACR) UNIVERSITY OF BATH (GB) 2017-06-22 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-20170176436-A1 METHODS (AMACR) ACADM, MRM1, ALDH7A1 NAA50 906/4885CHAT 1588/4885EP300 1906/4885

“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.