SCHEMBL24913347

SCHEMBL24913347

C=NCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCC(C)(C)SSCO[C@@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHAT P28329 2/20 0.43
NAA50 Q9GZZ1 2/20 0.43
AURKA O14965 2/20 0.43
EP300 Q09472 3/20 0.42
KAT5 Q92993 2/20 0.42
KAT2B Q92831 1/20 0.42
P2RX1 P51575 2/20 0.40
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 1/20 0.40
POLB P06746 1/20 0.39
P2RX4 Q99571 1/20 0.39
CREBBP Q92793 1/20 0.39
NAA40 Q86UY6 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
SCHEMBL24913480 0.90 KRAS (0.45) POLB
SCHEMBL21786830 0.89 CHAT (0.45) CHATNAA50AURKAEP300KAT5
SCHEMBL24913567 0.89 P2RX1 (0.45) CHATNAA50AURKAEP300KAT5
SCHEMBL21786896 0.87 CHAT (0.46) CHATNAA50AURKAEP300KAT5
SCHEMBL21786889 0.87 P2RX3 (0.47) CHATNAA50AURKAEP300KAT5
SCHEMBL21786834 0.86 POLG (0.40) POLB
SCHEMBL24913298 0.84 P2RX3 (0.49) CHATAURKAP2RX1P2RX3P2RX2
SCHEMBL21787115 0.84 P2RX3 (0.49) CHATAURKAP2RX1P2RX3P2RX2
SCHEMBL24913349 0.84 POLB (0.46) POLB
SCHEMBL24913450 0.83

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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 CHAT 3414/4885NAA50 580/4885AURKA 2489/4885

“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.