SCHEMBL6933547

SCHEMBL6933547

COc1cc2nc(NCCN(C)C)n[n+]([O-])c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.44
RCOR1 Q9UKL0 7/20 0.44
WHR1 P49842 2/20 0.42
EHMT2 Q96KQ7 6/20 0.41
SPIN1 Q9Y657 2/20 0.35
SPIN4 Q56A73 1/20 0.35
SPIN3 Q5JUX0 1/20 0.35
SPIN2B Q9BPZ2 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
PDPK1 O15530 1/20 0.35
DNM2 P50570 6/20 0.34

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
SCHEMBL6679538 0.96 KDM1A (0.43) KDM1ARCOR1WHR1EHMT2SPIN1
SCHEMBL6673922 0.89 DNM2 (0.37) KDM1ARCOR1WHR1EHMT2DNM2
SCHEMBL2776640 0.82 KDM1A (0.42) KDM1ARCOR1WHR1EHMT2
SCHEMBL6833397 0.81 CRHBP (0.43) KDM1ARCOR1WHR1EHMT2
SCHEMBL2774178 0.80 KCNH2 (0.40) KDM1ARCOR1EHMT2DNM2
SCHEMBL2777536 0.79 KCNH2 (0.40) KDM1ARCOR1DNM2
SCHEMBL3388870 0.77 PABPC1 (0.36) KDM1ARCOR1WHR1EHMT2SPIN1
SCHEMBL3390138 0.77 CA12 (0.35) KDM1ARCOR1WHR1EHMT2SPIN1
SCHEMBL6676763 0.77 CA1 (0.37)
SCHEMBL2776366 0.77 SCN9A (0.42) KDM1ARCOR1EHMT2

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 KDM1A 580/4885RCOR1 475/4885WHR1 2005/4885

“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.