SCHEMBL12427903

SCHEMBL12427903

Cn1cc(Cn2ccnc2[N+](=O)[O-])nn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.46
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KCNH2 Q12809 11/20 0.38
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL12427918 0.91 TYMP (0.43) TYMPCA12CA1CA2CA9
SCHEMBL12427963 0.84 TYMP (0.43) TYMPCA12CA1CA2CA9
SCHEMBL12427908 0.84 TYMP (0.44) TYMPCA12CA1CA2CA9
SCHEMBL941529 0.82 LMNA (0.46) TYMPCA12CA1CA2CA9
SCHEMBL12427881 0.82 TYMP (0.43) TYMPCA12CA1CA2CA9
SCHEMBL943184 0.82 TYMP (0.43) TYMPCA12CA1CA2CA9
SCHEMBL12427919 0.81 TYMP (0.42) TYMPCA12CA1CA2CA9
SCHEMBL14043101 0.78 TYMP (0.44) TYMPCA12CA1CA2CA9
SCHEMBL12427867 0.77 TYMP (0.41) TYMPCA12CA1CA2CA9
SCHEMBL12427959 0.77 TYMP (0.41) TYMPCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 TYMP 781/4885CA12 453/4885CA1 128/4885
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent HIF1AN, HIF1A, HYOU1 TYMP 797/4885CA12 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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