SCHEMBL6131584

SCHEMBL6131584

CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)CC(O)Cc1c[nH]c([N+](=O)[O-])n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GSTP1 P09211 1/20 0.31
GSTM2 P28161 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
BCHE P06276 1/20 0.31
SYK P43405 1/20 0.31
GFER P55789 1/20 0.31
SERPINE1 P05121 1/20 0.31
BACE1 P56817 1/20 0.31
RECQL P46063 1/20 0.31
BRD4 O60885 1/20 0.30
AAK1 Q2M2I8 1/20 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
SCHEMBL6131581 0.70 SYK (0.33) PCSK9MEN1KMT2ASYKSERPINE1
SCHEMBL17770528 0.65 L3MBTL1 (0.40) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL7643226 0.65 MEN1 (0.41) PCSK9MEN1KMT2AKDM4ELMNA
SCHEMBL6131628 0.65
SCHEMBL24739273 0.64 L3MBTL1 (0.44) MAPTKDM4ELMNANPSR1L3MBTL1
SCHEMBL31758115 0.63 ALDH1A1 (0.45) PCSK9MAPTMEN1ALDH1A1KMT2A
SCHEMBL31234426 0.63 NPC1 (0.67) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL27668003 0.63 NPC1 (0.67) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL23728158 0.63 NPC1 (0.67) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL570033 0.63 MEN1 (0.50) MEN1KMT2AKDM4ELMNASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958141-B2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2005-10-25 US disclosed
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2004-09-30 US disclosed
US-6699458-B2 CELL MEMBRANE PERMEABILITIES GREATER THAN THAT OF SUCROSE BRACCO INTERNATIONAL B.V. (NL) 2004-03-02 US disclosed
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY BRACCO SUISSE SA (CH) 2004-01-15 US disclosed
US-20020054853-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO SUISSE SA (CH) 2002-05-09 US disclosed
US-6359120-B1 REACTING ALKYLENE DIAMINE WITH HALOKETONE TO PROVIDE AN ALKYLENE DIAMINEDIKETONE WHICH IS CONVERTED TO ALKYLENE DIAMINEDIOXIME; OR REACTING ALKYLENE DIAMINE WITH FIRST HALOKETONE AND REACTING WITH SECOND HALOKETONE BRACCO INTERNATIONAL B.V. (NL) 2002-03-19 US disclosed
US-6184361-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2001-02-06 US disclosed
US-5808091-A DIAGNOSTIC IMAGING AGENT BRACCO INTERNATIONAL B.V. 1998-09-15 US disclosed
US-5688487-A Diagnostic imaging methods using rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1997-11-18 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 (3 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 PCSK9 4861/4885MAPT 4182/4885MEN1 257/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 PCSK9 4861/4885MAPT 4182/4885MEN1 257/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 PCSK9 4861/4885MAPT 4182/4885MEN1 257/4885

“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.