SCHEMBL14428362

SCHEMBL14428362

CCCOCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50

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
SCHEMBL22371802 0.86 CA12 (0.50) CA12CA1CA2CA9
SCHEMBL22371820 0.86 CA12 (0.50) CA12CA1CA2CA9
SCHEMBL22371805 0.82 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL22189151 0.81 CA12 (0.46) CA12CA1CA2CA9
Diethylamine SCHEMBL6365058 0.81 CA12 (0.52) CA12CA1CA2CA9
SCHEMBL13084356 0.78 CA12 (0.50) CA12CA1CA2CA9
SCHEMBL5455649 0.78 CA12 (0.45) CA12CA1CA2CA9
SCHEMBL14428364 0.77 BCHE (0.38)
SCHEMBL6370201 0.77 CA12 (0.56) CA12CA1CA2CA9
SCHEMBL5461464 0.72 MEN1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 CA12 1186/4885CA1 661/4885CA2 21/4885

“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.