SCHEMBL12427919

SCHEMBL12427919

[2H]CCn1cc(Cn2ccnc2[N+](=O)[O-])nn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.42
▸ KMT2A Q03164 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KCNH2 Q12809 7/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ GUSB P08236 1/20 0.34
▸ CYP19A1 P11511 2/20 0.34
▸ TYR P14679 1/20 0.34

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
SCHEMBL12427908 0.91 TYMP (0.44) TYMPKMT2ACA12CA1CA2
SCHEMBL12427963 0.84 TYMP (0.43) TYMPKMT2ACA12CA1CA2
SCHEMBL12427918 0.82 TYMP (0.43) TYMPKMT2ACA12CA1CA2
SCHEMBL943184 0.81 TYMP (0.43) TYMPKMT2ACA12CA1CA2
SCHEMBL941529 0.81 LMNA (0.46) TYMPKMT2ACA12CA1CA2
SCHEMBL12427881 0.81 TYMP (0.43) TYMPKMT2ACA12CA1CA2
SCHEMBL12427903 0.81 TYMP (0.46) TYMPKMT2ACA12CA1CA2
SCHEMBL12427873 0.77 KMT2A (0.46) TYMPKMT2ACA12CA1CA2
SCHEMBL942325 0.77 KMT2A (0.46) TYMPKMT2ACA12CA1CA2
SCHEMBL14043089 0.77 KMT2A (0.44) TYMPKMT2ACA12CA1CA2

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-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

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-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent HIF1AN, HIF1A, HYOU1 TYMP 797/4885KMT2A 610/4885CA12 414/4885

“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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