SCHEMBL5455350

SCHEMBL5455350

CN(CCNC(=O)O)CCNc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
HTT P42858 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 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
NCF1 P14598 1/20 0.34
ACHE P22303 1/20 0.34
FLT3 P36888 1/20 0.34
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MOK Q9UQ07 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
ACP1 P24666 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5449949 0.87 IDO1 (0.39) IDO1HTTTP53MAPTPOLB
SCHEMBL5450923 0.84 IDO1 (0.46) IDO1HTTMAPTPOLBACHE
SCHEMBL6678946 0.81 NCF1 (0.44) POLBNCF1TOP2AACP1GAA
SCHEMBL5459984 0.80 KDM4E (0.39) IDO1HTTTP53MAPTPOLB
SCHEMBL5456923 0.79 IDO1 (0.43) IDO1HTTTP53MAPTPOLB
SCHEMBL5452981 0.78 KDM4E (0.38) IDO1HTTTP53MAPTTMEM97
SCHEMBL25208697 0.78 ALDH1A1 (0.45) IDO1MAPTPOLBALDH1A1HPGD
SCHEMBL6676526 0.78 IDO1 (0.41) IDO1HTTMAPTPOLBTMEM97
SCHEMBL6675510 0.77 RAD52 (0.51) POLBTOP2AALDH1A1
SCHEMBL14428372 0.77 BCHE (0.38) IDO1POLBACHETOP2A

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 IDO1 924/4885HTT 2472/4885TP53 120/4885

“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.