SCHEMBL6537569

SCHEMBL6537569

CC(=O)C(C)(C)NCC(CNC(C)(C)C(C)=O)C(C)n1ccnc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
FPR2 P25090 1/20 0.31

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
SCHEMBL9065236 0.77 LMNA (0.40) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL6131543 0.76 LMNA (0.47) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL8557859 0.76 LMNA (0.35) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL6131548 0.75 CA12 (0.44) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL6131613 0.74 LMNA (0.47) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL6131592 0.74 CYP2C19 (0.53) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL6131623 0.73 KMT2A (0.54) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL3843843 0.72 KMT2A (0.45) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL6131546 0.72 KMT2A (0.45) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL5310582 0.72 KMT2A (0.45) LMNATHRBCYP2C19KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY BRACCO SUISSE SA (CH) 2004-01-15 US claimed
US-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2002-05-09 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 LMNA 4114/4885THRB 618/4885CYP2C19 4764/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 LMNA 4114/4885THRB 618/4885CYP2C19 4764/4885

“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.