SCHEMBL5455213

SCHEMBL5455213

CN(CCNC(=O)c1cccc2cc3ccccc3nc12)CCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RAD52 P43351 5/20 0.44
UHRF1 Q96T88 1/20 0.42
SMARCA2 P51531 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLR1A O95602 3/20 0.37
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35

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 0.93 HDAC1 (0.49) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL5463216 0.92 AOX1 (0.44) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL5463169 0.91 RAD52 (0.48) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL5455304 0.89 HDAC1 (0.54) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL5457429 0.88 HDAC1 (0.58) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL5463231 0.88 HDAC1 (0.48) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL5458016 0.87 HDAC1 (0.52) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL5452853 0.87 HDAC1 (0.47) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL5463123 0.86 RAD52 (0.46) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL5455149 0.86 HDAC1 (0.46) AOX1HDAC1HDAC6RAD52UHRF1

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 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.