SCHEMBL24723482

SCHEMBL24723482

CC(C)(C)OC(=O)Nc1ccc(CCN=[N+]=[N-])cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.51
▸ DRD2 P14416 1/20 0.48
▸ MAPK14 Q16539 1/20 0.46
▸ NAMPT P43490 3/20 0.44
▸ PSMB8 P28062 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ GLS O94925 1/20 0.43
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 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
SCHEMBL25381461 0.88 CYP17A1 (0.52) CYP17A1DRD2MAPK14NAMPTPSMB8
SCHEMBL16330300 0.85 CYP17A1 (0.54) CYP17A1DRD2MAPK14NAMPTPSMB8
SCHEMBL13827424 0.82 HDAC8 (0.48) CYP17A1HDAC8
SCHEMBL26079062 0.80 CYP17A1 (0.39) CYP17A1MAPK14NAMPTPSMB8
SCHEMBL26079041 0.80 HDAC8 (0.46) CYP17A1MAPK14NAMPTPSMB8PPARG
SCHEMBL12677009 0.80 CYP17A1 (0.58) CYP17A1DRD2MAPK14NAMPTPSMB8
SCHEMBL16246084 0.80 CYP17A1 (0.58) CYP17A1DRD2MAPK14NAMPTPSMB8
SCHEMBL27493682 0.80 CYP17A1 (0.58) CYP17A1DRD2MAPK14NAMPTPSMB8
SCHEMBL2244813 0.80 CYP17A1 (0.58) CYP17A1DRD2MAPK14NAMPTPSMB8
SCHEMBL14270301 0.80 AOC3 (0.52) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254085-A1 CHELATORS FOR RADIOMETALS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-08-01 — — US disclosed
EP-4334290-A1 CHELATORS FOR RADIOMETALS AND METHODS OF MAKING AND USING SAME The University of British Columbia (CA) 2024-03-13 — — EP disclosed
WO-2022232943-A1 CHELATORS FOR RADIOMETALS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-11-10 — — WO disclosed
WO-2022232943-A1 CHELATORS FOR RADIOMETALS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-11-10 — — WO 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-20240254085-A1 CHELATORS FOR RADIOMETALS AND METHODS OF MAKING AND USING SAME RXFP3, SLC39A3, NR4A3 CYP17A1 1588/4885DRD2 2085/4885MAPK14 4854/4885

“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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