SCHEMBL5452905

SCHEMBL5452905

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TOP2A P11388 2/20 0.37
TBXAS1 P24557 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
APOBEC3A P31941 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL25247696 0.92 CA12 (0.52) CA1CA2CA12CA9LMNA
SCHEMBL14428424 0.89 LMNA (0.42) CA1CA2CA12CA9LMNA
SCHEMBL29864187 0.88 CA12 (0.47) CA1CA2CA12CA9LMNA
SCHEMBL25074717 0.88 CA12 (0.47) CA1CA2CA12CA9LMNA
SCHEMBL5452602 0.86 CA12 (0.53) CA1CA2CA12CA9LMNA
SCHEMBL29864571 0.81 CA12 (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL25074787 0.81 CA12 (0.48) CA1CA2CA12CA9ALDH1A1
Bromide SCHEMBL29864589 0.80 CA12 (0.47) CA1CA2CA12CA9ALDH1A1
SCHEMBL5469423 0.80 CA12 (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL5452697 0.79 IDO1 (0.45) CA1CA2LMNAALDH1A1SMN1; SMN2

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 CA1 661/4885CA2 21/4885CA12 1186/4885

“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.