SCHEMBL5469423

SCHEMBL5469423

O=C(O)NCCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PLAAT5 Q96KN8 4/20 0.31
PLAAT4 Q9UL19 4/20 0.31
PLAAT3 P53816 3/20 0.31
PLAAT2 Q9NWW9 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDO1 P14902 2/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5452602 0.85 CA12 (0.53) CA12CA1CA2CA9KMT2A
SCHEMBL14428358 0.82 CA12 (0.46) CA12CA1CA2CA9NPSR1
SCHEMBL5462110 0.82 CA12 (0.47) CA12CA1CA2CA9KMT2A
SCHEMBL25074809 0.79 CA12 (0.51) CA12CA1CA2CA9KMT2A
SCHEMBL14428357 0.79 CA12 (0.57) CA12CA1CA2CA9KMT2A
SCHEMBL5450873 0.79 CA12 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL6370201 0.79 CA12 (0.56) CA12CA1CA2CA9KMT2A
SCHEMBL5455408 0.78 CA12 (0.49) CA12CA1CA2CA9
SCHEMBL5469439 0.78 CA12 (0.40) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5450923 0.78 IDO1 (0.46) ALDH1A1MAPTHPGDIDO1KCNH2

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.