SCHEMBL16319226

SCHEMBL16319226

O=C(O)CCn1ccnc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
CYP2C19 P33261 1/20 0.52
ESR1 P03372 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
OPRK1 P41145 1/20 0.51
KMT2A Q03164 1/20 0.48
TYMP P19971 3/20 0.45
NOS1 P29475 1/20 0.39
EGLN3 Q9H6Z9 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMO O15229 1/20 0.37

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
SCHEMBL9117495 0.89 CA12 (0.50) CA12CA1CA2CA9LMNA
SCHEMBL28356736 0.88 CA12 (0.49) CA12CA1CA2CA9LMNA
SCHEMBL28356435 0.88 CA12 (0.49) CA12CA1CA2CA9LMNA
SCHEMBL25211225 0.88 CA12 (0.49) CA12CA1CA2CA9LMNA
SCHEMBL28352617 0.88 CA12 (0.49) CA12CA1CA2CA9LMNA
SCHEMBL4398512 0.86 CA12 (0.56) CA12CA1CA2CA9LMNA
SCHEMBL20902568 0.86 CA12 (0.52) CA12CA1CA2CA9LMNA
SCHEMBL16353277 0.86 CA12 (0.52) CA12CA1CA2CA9LMNA
SCHEMBL16353283 0.86 CA12 (0.52) CA12CA1CA2CA9LMNA
SCHEMBL11390072 0.84 CA12 (0.64) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240424011-A1 COMBINATION THERAPY OF HYPOXIA-RESPONSIVE PRODRUG OF AN ANTICANCER DRUG AND RADIOTHERAPY, AND NOVEL HYPOXIA-RESPONSIVE PRODRUG UNIVERSITY OF TSUKUBA (JP) 2024-12-26 US disclosed
EP-4454646-A1 COMBINATION THERAPY INVOLVING RADIOTHERAPY AND HYPOXIA-RESPONSIVE PRODRUG OF ANTICANCER DRUG, AND NOVEL HYPOXIA-RESPONSIVE PRODRUG University of Tsukuba (JP) 2024-10-30 EP disclosed
WO-2023120331-A1 COMBINATION THERAPY INVOLVING RADIOTHERAPY AND HYPOXIA-RESPONSIVE PRODRUG OF ANTICANCER DRUG, AND NOVEL HYPOXIA-RESPONSIVE PRODRUG 国立大学法人筑波大学 2023-06-29 WO disclosed
EP-2816036-B1 PRODRUG USING NITROIMIDAZOLE UNIV TSUKUBA (JP) 2019-04-17 EP disclosed
CN-107417672-A One kind is based on 2,2 dimethyl 3(2 nitroimidazole bases)The hypoxemia activation prodrug of propionic acid 华东师范大学 2017-12-01 CN disclosed
US-9655975-B2 Prodrug using nitroimidazole UNIVERSITY OF TSUKUBA (JP) 2017-05-23 US disclosed
US-9655975-B2 Prodrug using nitroimidazole UNIVERSITY OF TSUKUBA (JP) 2017-05-23 US disclosed
US-9655975-B2 Prodrug using nitroimidazole UNIVERSITY OF TSUKUBA (JP) 2017-05-23 US disclosed
US-9655975-B2 Prodrug using nitroimidazole UNIVERSITY OF TSUKUBA (JP) 2017-05-23 US disclosed
US-20140378673-A1 PRODRUG USING NITROIMIDAZOLE UNIVERSITY OF TSUKUBA (JP) 2014-12-25 US disclosed
US-20140378673-A1 PRODRUG USING NITROIMIDAZOLE UNIVERSITY OF TSUKUBA (JP) 2014-12-25 US disclosed
US-20140378673-A1 PRODRUG USING NITROIMIDAZOLE UNIVERSITY OF TSUKUBA (JP) 2014-12-25 US disclosed
US-20140378673-A1 PRODRUG USING NITROIMIDAZOLE UNIVERSITY OF TSUKUBA (JP) 2014-12-25 US disclosed
EP-2816036-A1 PRODRUG USING NITROIMIDAZOLE University of Tsukuba (JP) 2014-12-24 EP disclosed
EP-2816036-A1 PRODRUG USING NITROIMIDAZOLE University of Tsukuba (JP) 2014-12-24 EP 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-20140378673-A1 PRODRUG USING NITROIMIDAZOLE HIF1AN, HIF1A, PAICS CA12 450/4885CA1 73/4885CA2 117/4885
US-20240424011-A1 COMBINATION THERAPY OF HYPOXIA-RESPONSIVE PRODRUG OF AN ANTICANCER DRUG AND RADIOTHERAPY, AND NOVEL HYPOXIA-RESPONSIVE PRODRUG HIF1AN, HIF1A, PAICS CA12 2205/4885CA1 2544/4885CA2 2088/4885

“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.