SCHEMBL5457512

SCHEMBL5457512

Cc1ccc2c(c1)[n+]([O-])c(NCCCN(C)CCCNC(=O)c1cccc3ccc(-c4ccncc4)nc13)n[n+]2[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
RAD52 P43351 2/20 0.36
UHRF1 Q96T88 1/20 0.36
MAPT P10636 1/20 0.34
ACKR3 P25106 1/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOX1 Q06278 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL5455691 0.97 TP53 (0.37) TP53RAD52UHRF1MAPTACKR3
SCHEMBL5452898 0.92 TP53 (0.39) TP53RAD52UHRF1MAPTACKR3
SCHEMBL5462932 0.86 RAD52 (0.41) TP53RAD52UHRF1MAPTACKR3
SCHEMBL14428402 0.86 AOX1 (0.40) TP53RAD52MAPTKDM4EAOX1
SCHEMBL5463093 0.85 HDAC1 (0.46) TP53RAD52UHRF1MAPTKMT2A
SCHEMBL5463154 0.83 RAD52 (0.41) TP53RAD52MAPTKMT2AAOX1
SCHEMBL5455149 0.82 HDAC1 (0.46) TP53RAD52UHRF1MAPTKMT2A
SCHEMBL5452770 0.80 MEN1 (0.43) TP53RAD52KMT2AKDM4EALDH1A1
SCHEMBL5450914 0.80 RAD52 (0.41) TP53RAD52MAPTKMT2AAOX1
SCHEMBL5464983 0.80 CA12 (0.36) RAD52UHRF1MAPTKMT2ALMNA

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 TP53 120/4885RAD52 144/4885UHRF1 1451/4885

“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.