SCHEMBL5452701

SCHEMBL5452701

Cc1cccc2nc3cccc(C(=O)NCCCN(CCCNc4n[n+]([O-])c5ccccc5[n+]4[O-])C(=O)OC(C)(C)C)c3nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.38
SMARCA2 P51531 1/20 0.37
IDO1 P14902 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5448176 0.94 RAD52 (0.39) RAD52SMARCA2IDO1MAPTCYP1A2
SCHEMBL14428378 0.89 RAD52 (0.43) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL5462993 0.88 HDAC1 (0.45) RAD52SMARCA2IDO1MAPTHTT
SCHEMBL5467865 0.86 RAD52 (0.42) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL14428367 0.86 RAD52 (0.39) RAD52SMARCA2MAPTCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5463146 0.85 RAD52 (0.40) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL5463123 0.84 RAD52 (0.46) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL14428400 0.83 RAD52 (0.41) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL5453247 0.82 RAD52 (0.44) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL7156617 0.81 RAD52 (0.36) RAD52SMARCA2MAPTCYP1A2CYP2C9

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
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 RAD52 144/4885SMARCA2 2126/4885IDO1 924/4885

“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.