SCHEMBL5455315

SCHEMBL5455315

CC(C)(C)ONC(=O)CCCCCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

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
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 12/20 0.34
HDAC3 O15379 6/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
IDO1 P14902 2/20 0.34
NCOR2 Q9Y618 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL5455649 0.87 CA12 (0.45) CA12CA1CA2CA9HDAC1
SCHEMBL5469464 0.82 IDO1 (0.49) CYP3A4CYP2C9KCNH2HDAC1HDAC3
SCHEMBL14428358 0.78 CA12 (0.46) CA12CA1CA2CA9CYP3A4
SCHEMBL5452602 0.76 CA12 (0.53) CA12CA1CA2CA9HDAC1
SCHEMBL14428354 0.76 CA12 (0.52) CA12CA1CA2CA9NPC1
SCHEMBL25247696 0.75 CA12 (0.52) CA12CA1CA2CA9KDM4E
SCHEMBL5462110 0.75 CA12 (0.47) CA12CA1CA2CA9HDAC1
SCHEMBL25074717 0.74 CA12 (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL29864187 0.74 CA12 (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL25213627 0.73 CA12 (0.45) CA12CA1CA2CA9IDO1

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.