SCHEMBL5452932

SCHEMBL5452932

Cc1ccc2c(c1)[n+]([O-])nc(NCCCNCCCNC(=O)c1cccc3nc4cccc(C)c4nc13)[n+]2[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.37
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMARCA2 P51531 1/20 0.34
CFTR P13569 1/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 3/20 0.33
APP P05067 2/20 0.33
BACE1 P56817 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5462029 0.97 RAD52 (0.37) RAD52CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL14428367 0.92 RAD52 (0.39) RAD52CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL14428400 0.91 RAD52 (0.41) RAD52CYP1A2MAPTCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5463146 0.91 RAD52 (0.40) RAD52CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5450914 0.85 RAD52 (0.41) RAD52CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL14428373 0.84 CA12 (0.40) RAD52CYP1A2MAPTCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5461956 0.83 RAD52 (0.40) RAD52CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL14428378 0.83 RAD52 (0.43) RAD52CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5463154 0.82 RAD52 (0.41) RAD52CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5467865 0.80 RAD52 (0.42) RAD52CYP1A2MAPTCYP2C9CYP2C19

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 1 patent. 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

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 144/4885CYP1A2 1241/4885MAPT 4090/4885

“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.