SCHEMBL942325

SCHEMBL942325

O=[N+]([O-])c1nccn1Cc1cn(CC(O)CF)nn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ TYMP P19971 3/20 0.39
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CA12 O43570 4/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ GUSB P08236 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ KCNH2 Q12809 5/20 0.32
▸ GRIN2B Q13224 1/20 0.32

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
SCHEMBL12427873 1.00 KMT2A (0.46) KMT2ATYMPLMNATHRBCYP2C19
SCHEMBL14043089 0.91 KMT2A (0.44) KMT2ATYMPLMNATHRBCYP2C19
SCHEMBL12427871 0.91 KMT2A (0.44) KMT2ATYMPLMNATHRBCYP2C19
SCHEMBL12427945 0.83 KMT2A (0.39) KMT2ATYMPLMNATHRBCYP2C19
SCHEMBL943184 0.82 TYMP (0.43) KMT2ATYMPLMNATHRBCYP2C19
SCHEMBL12427881 0.82 TYMP (0.43) KMT2ATYMPLMNATHRBCYP2C19
SCHEMBL14042973 0.81 KMT2A (0.47) KMT2ATYMPLMNATHRBCYP2C19
SCHEMBL12427874 0.81 KMT2A (0.47) KMT2ATYMPLMNATHRBCYP2C19
[18F]Fluoromisonidazole SCHEMBL17022268 0.80 KMT2A (0.67) KMT2ATYMPLMNATHRBCYP2C19
Fluoromisonidazole SCHEMBL368122 0.80 KMT2A (0.67) KMT2ATYMPLMNATHRBCYP2C19

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 13 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-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
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
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 KMT2A 658/4885TYMP 781/4885LMNA 3765/4885
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent HIF1AN, HIF1A, HYOU1 KMT2A 610/4885TYMP 797/4885LMNA 3725/4885

“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.

Send feedback