SCHEMBL6833397

SCHEMBL6833397

COc1ccc2nc(NCCN(C)C)n[n+]([O-])c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KDM1A O60341 3/20 0.41
RCOR1 Q9UKL0 3/20 0.41
EHMT2 Q96KQ7 2/20 0.41
NQO2 P16083 3/20 0.40
KAT2B Q92831 2/20 0.40
LMNA P02545 1/20 0.40
TERT O14746 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
NQO1 P15559 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL2776640 0.92 KDM1A (0.42) KDM1ARCOR1EHMT2NQO2KAT2B
SCHEMBL2777536 0.84 KCNH2 (0.40) KDM1ARCOR1POLBRAD52HSD17B10
SCHEMBL6933547 0.81 KDM1A (0.44) KDM1ARCOR1EHMT2WHR1
SCHEMBL6678946 0.81 NCF1 (0.44) KDM1ARCOR1EHMT2TERTPOLB
SCHEMBL6679538 0.80 KDM1A (0.43) KDM1ARCOR1EHMT2WHR1
SCHEMBL2776163 0.80 POLB (0.41) POLBMAPTRAD52SCN9A
SCHEMBL2774175 0.80 RAD52 (0.36) KDM1ARCOR1EHMT2RAD52MKNK1
SCHEMBL6676209 0.79 KMT5A (0.44) CRHBPCRHR2KEAP1NFE2L2KDM1A
SCHEMBL6673922 0.79 DNM2 (0.37) KDM1ARCOR1EHMT2RAD52WHR1
SCHEMBL2774178 0.78 KCNH2 (0.40) KDM1ARCOR1EHMT2POLBRAD52

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-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 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-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 CRHBP 4700/4885CRHR2 3115/4885KEAP1 412/4885

“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.