SCHEMBL943059

SCHEMBL943059

CC(=O)OC(COS(=O)(=O)c1ccc(C)cc1)Cn1cc(Cn2ccnc2[N+](=O)[O-])nn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSMD10 O75832 1/20 0.34
▸ CA12 O43570 5/20 0.34
▸ CA1 P00915 5/20 0.34
▸ CA2 P00918 5/20 0.34
▸ CA9 Q16790 5/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ MMP8 P22894 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TYMP P19971 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL12427945 0.82 KMT2A (0.39) CA12CA1CA2CA9KCNH2
SCHEMBL941807 0.81 MMP2 (0.43) PSMD10CA12CA1CA2CA9
SCHEMBL14042903 0.75 MMP2 (0.38) PSMD10CA12CA1CA2CA9
SCHEMBL16367292 0.74 KMT2A (0.54) CA12CA1CA2CA9KMT2A
SCHEMBL16367296 0.73 KMT2A (0.47) CA12CA1CA2CA9KMT2A
SCHEMBL16367345 0.72 L3MBTL1 (0.38) KMT2ALMNATHRB
SCHEMBL943760 0.72 CA12 (0.51) PSMD10CA12CA1CA2CA9
SCHEMBL16367365 0.72 MMP2 (0.36) MMP2MMP9KMT2ALMNATHRB
SCHEMBL16367349 0.71 EGFR (0.37) PSMD10KMT2ALMNATHRB
SCHEMBL16367353 0.71 EGFR (0.52) CA12CA1CA2CA9LMNA

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 16 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
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
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 PSMD10 4042/4885CA12 453/4885CA1 128/4885
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent HIF1AN, HIF1A, HYOU1 PSMD10 3995/4885CA12 414/4885CA1 117/4885

“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.

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