SCHEMBL5452602

SCHEMBL5452602

O=C(O)CCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CDC25A P30304 2/20 0.39
CDC25B P30305 2/20 0.39
ATM Q13315 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 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
SCHEMBL5469423 0.85 CA12 (0.52) CA12CA1CA2CA9HPGD
SCHEMBL25074809 0.83 CA12 (0.51) CA12CA1CA2CA9CDC25A
SCHEMBL29864187 0.82 CA12 (0.47) CA12CA1CA2CA9LMNA
SCHEMBL25074717 0.82 CA12 (0.47) CA12CA1CA2CA9LMNA
SCHEMBL25247696 0.80 CA12 (0.52) CA12CA1CA2CA9LMNA
SCHEMBL25074729 0.77 CA12 (0.49) CA12CA1CA2CA9LMNA
SCHEMBL29864644 0.77 CA12 (0.49) CA12CA1CA2CA9LMNA
SCHEMBL29864571 0.76 CA12 (0.48) CA12CA1CA2CA9HPGD
SCHEMBL25074787 0.76 CA12 (0.48) CA12CA1CA2CA9HPGD
SCHEMBL5455315 0.76 CA12 (0.46) CA12CA1CA2CA9KDM4E

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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US disclosed
WO-2004026846-A1 DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-01 WO 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.