SCHEMBL13104167

SCHEMBL13104167

O=C(Cn1ccnc1[N+](=O)[O-])NCc1cn(CC[18F])nn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CA12 O43570 5/20 0.52
▸ CA1 P00915 5/20 0.52
▸ CA2 P00918 5/20 0.52
▸ CA9 Q16790 5/20 0.52
▸ GUSB P08236 1/20 0.39
▸ APP P05067 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ GLS O94925 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ FNTA P49354 3/20 0.34
▸ FNTB P49356 3/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL942527 1.00 CYP3A4 (0.56) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL941683 0.91 LMNA (0.61) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL943184 0.81 TYMP (0.43) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL12427881 0.81 TYMP (0.43) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL943760 0.80 CA12 (0.51) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL368130 0.78 LMNA (0.78) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL13065132 0.76 LMNA (0.74) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL14043067 0.74 MAPK1 (0.42) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL15024639 0.73 LMNA (0.80) CYP3A4CYP2D6OPRK1LMNATHRB
SCHEMBL12264732 0.73 LMNA (0.42) CYP3A4CYP2D6OPRK1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807394-B2 Nitro-imidazole hypoxia imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-10-05 — — US disclosed
US-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-01-08 — — US 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 (1 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 CYP3A4 581/4885CYP2D6 449/4885OPRK1 1267/4885

“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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