SCHEMBL5452770

SCHEMBL5452770

CN(CCCNC(=O)c1cccc2cccnc12)CCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.38
TET3 O43151 1/20 0.38
TET2 Q6N021 1/20 0.38
TET1 Q8NFU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HCRTR1 O43613 4/20 0.37
SIGMAR1 Q99720 4/20 0.37
EGLN1 Q9GZT9 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
TP53 P04637 1/20 0.37
HCRTR2 O43614 3/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5452794 0.87 HDAC1 (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL5453247 0.87 RAD52 (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL5452702 0.86 AOX1 (0.41) CA12CA1CA2CA9SIGMAR1
SCHEMBL5452898 0.86 TP53 (0.39) CA12CA1CA2CA9SIGMAR1
SCHEMBL5467865 0.85 RAD52 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL14428378 0.84 RAD52 (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL5461464 0.84 MEN1 (0.46) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL5463093 0.82 HDAC1 (0.46) MEN1KMT2ASIGMAR1TMEM97TP53
SCHEMBL5455149 0.82 HDAC1 (0.46) MEN1KMT2ASIGMAR1TMEM97TP53
SCHEMBL14428402 0.81 AOX1 (0.40) NPC1RAB9AKDM4ETET3TET2

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 3 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
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 MEN1 3511/4885NPC1 2831/4885RAB9A 4418/4885

“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.