SCHEMBL6537369

SCHEMBL6537369

CC(C)(CCCn1ccnc1[N+](=O)[O-])NCCCNC(C)(C)C(=O)CC(=O)n1ccnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.34
TYMP P19971 2/20 0.30
NOS1 P29475 1/20 0.30
EGFR P00533 3/20 0.30
CCR10 P46092 2/20 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
SCHEMBL8560363 0.89 CA12 (0.42) CA12CA1CA2CA9LMNA
SCHEMBL8565364 0.86 LMNA (0.39) CA12CA1CA2CA9LMNA
SCHEMBL6131660 0.81 CA12 (0.48) CA12CA1CA2CA9LMNA
SCHEMBL6131605 0.80 CA12 (0.46) CA12CA1CA2CA9LMNA
SCHEMBL8716992 0.79 CA12 (0.38) CA12CA1CA2CA9LMNA
SCHEMBL6131569 0.78 LMNA (0.55) CA12CA1CA2CA9LMNA
SCHEMBL6131614 0.78 LMNA (0.52) CA12CA1CA2CA9LMNA
SCHEMBL27360986 0.76 CA12 (0.48) CA12CA1CA2CA9LMNA
SCHEMBL8473394 0.76 LMNA (0.55) CA12CA1CA2CA9LMNA
SCHEMBL8478713 0.74 LMNA (0.51) CA12CA1CA2CA9LMNA

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-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY BRACCO SUISSE SA (CH) 2004-01-15 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-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 CA12 48/4885CA1 22/4885CA2 79/4885

“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.