SCHEMBL6131592

SCHEMBL6131592

CC(=O)C(C)(C)NCC(CNC(C)(C)C(C)=O)NC(=O)Cn1ccnc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.53
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
OPRK1 P41145 1/20 0.49
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
KMT2A Q03164 1/20 0.41
TYMP P19971 3/20 0.34
NOS1 P29475 1/20 0.34
ELANE P08246 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.31
CCR10 P46092 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
SCHEMBL8764414 0.91 LMNA (0.48) CYP2C19LMNATHRBCYP3A4CYP2D6
SCHEMBL6131543 0.82 LMNA (0.47) CYP2C19LMNATHRBCYP3A4CYP2D6
SCHEMBL6131613 0.82 LMNA (0.47) CYP2C19LMNATHRBCYP3A4CYP2D6
SCHEMBL6131552 0.80 LMNA (0.45) CYP2C19LMNATHRBCYP3A4CYP2D6
SCHEMBL6131548 0.80 CA12 (0.44) CYP2C19LMNATHRBCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6131638 0.79 LMNA (0.60) CYP2C19LMNATHRBCYP3A4CYP2D6
SCHEMBL4654768 0.78 CYP2C19 (0.62) CYP2C19LMNATHRBCYP3A4CYP2D6
SCHEMBL6131582 0.77 LMNA (0.49) CYP2C19LMNATHRBCYP3A4CYP2D6
SCHEMBL6131614 0.77 LMNA (0.52) CYP2C19LMNATHRBCYP3A4CYP2D6
SCHEMBL6131623 0.77 KMT2A (0.54) CYP2C19LMNATHRBCYP3A4CYP2D6

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 15 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
EP-0544412-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INT BV (NL) 1997-07-23 EP claimed
EP-0544412-A2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1993-06-02 EP claimed
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
EP-0544412-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INT BV (NL) 1997-07-23 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 CYP2C19 4764/4885LMNA 4114/4885THRB 618/4885
US-20040191174-A1 Rhenium and technetium complexes containing a hypoxia-localizing moiety HIF1A, HIF1AN, SLC2A8 CYP2C19 4764/4885LMNA 4114/4885THRB 618/4885
US-20040010127-A1 RHENIUM AND TECHNETIUM COMPLEXES CONTAINING A HYPOXIA-LOCALIZING MOIETY HIF1A, HIF1AN, SLC2A8 CYP2C19 4764/4885LMNA 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.