SCHEMBL942630

SCHEMBL942630

CC(=O)OCC(CO)n1cc(Cn2ccnc2[N+](=O)[O-])nn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CYP2C19 P33261 1/20 0.38
TYMP P19971 3/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
CA12 O43570 5/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
CA9 Q16790 5/20 0.32
CYP19A1 P11511 2/20 0.32
MITF O75030 1/20 0.32
KCNH2 Q12809 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
SCHEMBL14042971 0.92 TYMP (0.38) LMNATHRBCYP2C19TYMPKMT2A
SCHEMBL12427955 0.91 TYMP (0.37) LMNATHRBCYP2C19TYMPKMT2A
SCHEMBL17613421 0.89 TYMP (0.39) LMNATHRBCYP2C19TYMPKMT2A
SCHEMBL13104162 0.89 TYMP (0.39) LMNATHRBCYP2C19TYMPKMT2A
SCHEMBL14043101 0.88 TYMP (0.44) LMNATHRBCYP2C19TYMPKMT2A
SCHEMBL12427867 0.86 TYMP (0.41) LMNATHRBCYP2C19TYMPKMT2A
SCHEMBL16367291 0.85 TYMP (0.37) LMNATHRBCYP2C19TYMPKMT2A
SCHEMBL12427863 0.83 TYMP (0.41) LMNATHRBCYP2C19TYMPKMT2A
SCHEMBL366040 0.83 TYMP (0.41) LMNATHRBCYP2C19TYMPKMT2A
SCHEMBL12427938 0.83 APP (0.39) CYP2C19TYMPKMT2ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132200-B1 NITRO-IMIDAZOLE HYPOXIA IMAGING AGENTS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-23 EP disclosed
EP-2132200-B1 NITRO-IMIDAZOLE HYPOXIA IMAGING AGENTS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-23 EP disclosed
CN-101652360-B Nitroimidazol hypoxic contrast agents SIEMENS MEDICAL SOLUTIONS US 2014-06-25 CN disclosed
US-7977361-B2 Nitro-imidazole hypoxia imaging agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-12 US disclosed
US-7977361-B2 Nitro-imidazole hypoxia imaging agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-12 US disclosed
US-7977361-B2 Nitro-imidazole hypoxia imaging agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-12 US disclosed
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-01-06 US disclosed
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-01-06 US disclosed
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-01-06 US disclosed
US-7807394-B2 Nitro-imidazole hypoxia imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-10-05 US disclosed
US-7807394-B2 Nitro-imidazole hypoxia imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-10-05 US disclosed
US-7807394-B2 Nitro-imidazole hypoxia imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-10-05 US disclosed
CN-101652360-A Nitroimidazol hypoxic contrast agents SIEMENS MEDICAL SOLUTIONS US 2010-02-17 CN disclosed
EP-2132200-A2 NITRO-IMIDAZOLE HYPOXIA IMAGING AGENTS Siemens Medical Solutions USA, Inc. (US) 2009-12-16 EP disclosed
US-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-01-08 US disclosed
US-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-01-08 US disclosed
US-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-01-08 US disclosed
WO-2008124651-A2 NITRO-IMIDAZOLE HYPOXIA IMAGING AGENTS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO 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 (2 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-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents HIF1AN, HIF1A, HYOU1 LMNA 3765/4885THRB 2300/4885CYP2C19 277/4885
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent HIF1AN, HIF1A, HYOU1 LMNA 3725/4885THRB 2243/4885CYP2C19 276/4885

“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.