SCHEMBL5316121

SCHEMBL5316121

CC(C)(Cl)C(Cn1ccnc1[N+](=O)[O-])N=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
TYMP P19971 3/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
OPRK1 P41145 1/20 0.37
NOS1 P29475 1/20 0.32
CCR10 P46092 2/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 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
SCHEMBL5311343 0.87 CA12 (0.44) KMT2ATYMPCA12CA1CA2
SCHEMBL5313343 0.84 KMT2A (0.52) KMT2ATYMPCA12CA1CA2
SCHEMBL8474513 0.78 KMT2A (0.52) KMT2ATYMPCA12CA1CA2
SCHEMBL6131547 0.75 SMN1; SMN2 (0.39) LMNATHRBTSHR
SCHEMBL7454092 0.75 SMN1; SMN2 (0.39) LMNATHRBTSHR
SCHEMBL14412424 0.73 KMT2A (0.66) KMT2ATYMPCA12CA1CA2
SCHEMBL12396375 0.72 KMT2A (0.78) KMT2ATYMPCA12CA1CA2
SCHEMBL8855648 0.72 KMT2A (0.57) KMT2ATYMPCA12CA1CA2
SCHEMBL6131585 0.71 L3MBTL1 (0.41) KMT2ALMNAHIF1AMEN1
SCHEMBL8365952 0.71 LMNA (0.48) KMT2ATYMPCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP disclosed
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
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP disclosed
US-5741912-A DIAGNOSIS, THERAPY BRACCO INTERNATIONAL B.V. 1998-04-21 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
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 US disclosed
US-5656254-A Polyaza heteroatom-bearing ligands and metal complexes thereof for imaging or radiotherapy BRACCO INTERNATIONAL B.V. 1997-08-12 US disclosed
EP-0544412-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INT BV (NL) 1997-07-23 EP disclosed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US disclosed
US-5608110-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-03-04 US disclosed
WO-1995016469-A1 MULTILAYER LYOPHILE FOR PREPARING RADIOPHARMACEUTICALS BRACCO INTERNATIONAL B.V. (NL) 1995-06-22 WO disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP disclosed
EP-0544412-A2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1993-06-02 EP 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 KMT2A 2657/4885TYMP 365/4885CA12 48/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 KMT2A 2657/4885TYMP 365/4885CA12 48/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 KMT2A 2657/4885TYMP 365/4885CA12 48/4885

“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.