SCHEMBL6131654

SCHEMBL6131654

CC(C)=CCn1ccnc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
OPRK1 P41145 1/20 0.44
TYMP P19971 3/20 0.44
NOS1 P29475 1/20 0.38
PDE4A P27815 1/20 0.35
AHCY P23526 1/20 0.35
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
Bicarbonate SCHEMBL7458850 0.93 LMNA (0.46) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL5317058 0.85 CA12 (0.50) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL7803810 0.80 KMT2A (0.51) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL9531393 0.79 LMNA (0.49) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL11360428 0.79 CA12 (0.49) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL20350454 0.79 CA12 (0.49) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL5311956 0.78 LMNA (0.65) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL15325016 0.78 LMNA (0.61) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL9406399 0.76 LMNA (0.44) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL9272320 0.76 KMT2A (0.54) KMT2ALMNATHRBCYP2C19CA12

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 17 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-6184361-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 2001-02-06 US disclosed
US-5997843-A TECHNETIUM-99M AMERSHAM INTERNATIONAL PLC (GB) 1999-12-07 US disclosed
US-5993774-A Metal-oxime chelates for use as radiopharmaceutical agents AMERSHAM INTERNATIONAL PLC (GB) 1999-11-30 US disclosed
EP-0663900-B1 METAL-OXIME CHELATES FOR USE AS RADIOPHARMACEUTICAL AGENTS NYCOMED AMERSHAM PLC (GB) 1999-09-22 EP 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
EP-0544412-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INT BV (NL) 1997-07-23 EP disclosed
EP-0712315-A1 RADIOMETAL COMPLEXES THAT LOCALISE IN HYPOXIC TISSUE AMERSHAM INTERNATIONAL plc (GB) 1996-05-22 EP disclosed
EP-0663900-A1 METAL-OXIME CHELATES FOR USE AS RADIOPHARMACEUTICAL AGENTS AMERSHAM INTERNATIONAL plc (GB) 1995-07-26 EP disclosed
WO-1995004552-A2 RADIOMETAL COMPLEXES THAT LOCALISE IN HYPOXIC TISSUE AMERSHAM INTERNATIONAL PLC (GB) 1995-02-16 WO disclosed
WO-1994008949-A2 METAL-OXIME CHELATES FOR USE AS RADIOPHARMACEUTICAL AGENTS AMERSHAM INTERNATIONAL PLC (GB) 1994-04-28 WO 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 2657/4885LMNA 4114/4885THRB 618/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 KMT2A 2657/4885LMNA 4114/4885THRB 618/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 KMT2A 2657/4885LMNA 4114/4885THRB 618/4885

“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.