SCHEMBL22189151

SCHEMBL22189151

[N-]=[N+]=NCCOCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CRBN Q96SW2 2/20 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
SCHEMBL31470851 1.00 CA12 (0.46) CA12CA1CA2CA9CRBN
SCHEMBL31470850 1.00 CA12 (0.46) CA12CA1CA2CA9CRBN
SCHEMBL22371802 0.81 CA12 (0.50) CA12CA1CA2CA9
SCHEMBL14428362 0.81 CA12 (0.50) CA12CA1CA2CA9
SCHEMBL22371820 0.81 CA12 (0.50) CA12CA1CA2CA9
SCHEMBL5453227 0.81 CA12 (0.53) CA12CA1CA2CA9
SCHEMBL14428359 0.80 IDO1 (0.33) CRBN
SCHEMBL22371805 0.77 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL6370201 0.72 CA12 (0.56) CA12CA1CA2CA9
SCHEMBL5455649 0.70 CA12 (0.45) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600742-B2 Markers, conjugates, compositions and methods for hypoxia imaging, mapping, and therapy WWIKY BIOSCIENCES INC. (CA) 2026-04-14 US disclosed
US-20200276338-A1 BIOREDUCTIVELY-ACTIVATED COMPOUNDS, THEIR PRODRUGS, RADIOPHARMACEUTICALS, THE COMPOSITIONS, AND THEIR APPLICATIONS IN MULTIMODAL THERANOSTIC MANAGEMENT OF HYPOXIA DISEASES INCLUDING CANCER WWIKY BIOSCIENCES INC. (CA) 2020-09-03 US disclosed
US-20200216486-A1 MARKERS, CONJUGATES, COMPOSITIONS AND METHODS FOR HYPOXIA IMAGING, MAPPING, AND THERAPY WWIKY BIOSCIENCES INC. (CA) 2020-07-09 US disclosed
CN-111356698-A Markers, conjugates, compositions and methods for hypoxia imaging, mapping and therapy 阿尔伯塔大学理事会 2020-06-30 CN 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 (3 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-20200276338-A1 BIOREDUCTIVELY-ACTIVATED COMPOUNDS, THEIR PRODRUGS, RADIOPHARMACEUTICALS, THE COMPOSITIONS, AND THEIR APPLICATIONS IN MULTIMODAL THERANOSTIC MANAGEMENT OF HYPOXIA DISEASES INCLUDING CANCER HIF1A, HIF1AN, PAICS CA12 17/4885CA1 50/4885CA2 43/4885
US-20200216486-A1 MARKERS, CONJUGATES, COMPOSITIONS AND METHODS FOR HYPOXIA IMAGING, MAPPING, AND THERAPY HYOU1, HIF1A, HIF1AN CA12 33/4885CA1 38/4885CA2 102/4885
US-12600742-B2 Markers, conjugates, compositions and methods for hypoxia imaging, mapping, and therapy HIF1A, HIF1AN, HYOU1 CA12 23/4885CA1 45/4885CA2 54/4885

“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.