SCHEMBL5463154

SCHEMBL5463154

Cc1ccc2c(c1)[n+]([O-])c(NCCCN(C)CCCNC(=O)c1cccc3nc4ccccc4nc13)n[n+]2[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.41
SMARCA2 P51531 1/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TP53 P04637 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AOX1 Q06278 1/20 0.36
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 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
SCHEMBL5450914 0.97 RAD52 (0.41) RAD52SMARCA2HTTHDAC1HDAC6
SCHEMBL5463093 0.93 HDAC1 (0.46) RAD52SMARCA2HTTHDAC1HDAC6
SCHEMBL5453247 0.92 RAD52 (0.44) RAD52SMARCA2HTTHDAC1HDAC6
SCHEMBL14428400 0.91 RAD52 (0.41) RAD52SMARCA2HTTHDAC1HDAC6
SCHEMBL5455149 0.90 HDAC1 (0.46) RAD52SMARCA2HTTHDAC1HDAC6
SCHEMBL5467865 0.88 RAD52 (0.42) RAD52SMARCA2HTTHDAC1HDAC6
SCHEMBL14428402 0.87 AOX1 (0.40) RAD52SMARCA2HTTHDAC1HDAC6
SCHEMBL14428378 0.87 RAD52 (0.43) RAD52SMARCA2HTTTP53MAPT
SCHEMBL5452794 0.85 HDAC1 (0.49) RAD52SMARCA2HTTHDAC1HDAC6
SCHEMBL5463169 0.85 RAD52 (0.48) RAD52SMARCA2HDAC1HDAC6TP53

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 RAD52 144/4885SMARCA2 2126/4885HTT 2472/4885

“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.