SCHEMBL5452702

SCHEMBL5452702

Cc1cccc2cc3cccc(C(=O)NCCCN(C)CCCNc4n[n+]([O-])c5ccccc5[n+]4[O-])c3nc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PIK3CD O00329 1/20 0.37
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
APP P05067 1/20 0.36
SIGMAR1 Q99720 7/20 0.36
TMEM97 Q5BJF2 5/20 0.36
OPRM1 P35372 3/20 0.35
OPRK1 P41145 2/20 0.35
ACKR3 P25106 1/20 0.35
RAD52 P43351 2/20 0.35
TP53 P04637 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
SCHEMBL5463216 0.93 AOX1 (0.44) AOX1HDAC1HDAC6PIK3CDCA12
SCHEMBL14428402 0.93 AOX1 (0.40) AOX1HDAC1HDAC6PIK3CDHTT
SCHEMBL5452794 0.92 HDAC1 (0.49) AOX1HDAC1HDAC6HTTCA12
SCHEMBL14428378 0.91 RAD52 (0.43) HTTCA12CA1CA2CA9
SCHEMBL5467865 0.90 RAD52 (0.42) AOX1HDAC1HDAC6HTTCA12
SCHEMBL5463093 0.87 HDAC1 (0.46) AOX1HDAC1HDAC6HTTAPP
SCHEMBL5455149 0.87 HDAC1 (0.46) AOX1HDAC1HDAC6HTTAPP
SCHEMBL5461314 0.87 CA12 (0.39) AOX1HDAC1HDAC6PIK3CDHTT
SCHEMBL5452770 0.86 MEN1 (0.43) CA12CA1CA2CA9SIGMAR1
SCHEMBL5455213 0.85 AOX1 (0.49) AOX1HDAC1HDAC6HTTCA12

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
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 AOX1 404/4885HDAC1 1200/4885HDAC6 2421/4885

“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.