SCHEMBL6674985

SCHEMBL6674985

COCCNc1nc2cc(C)ccc2[n+]([O-])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.43
KCNH3 Q9ULD8 4/20 0.39
NCF1 P14598 2/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL6679132 0.84 KDM4E (0.48) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL6679158 0.82 KCNH3 (0.48) PDE5AKCNH3NCF1ALDH1A1KDM4E
SCHEMBL2774178 0.82 KCNH2 (0.40) NCF1EHMT2SMN1; SMN2HTTPOLB
SCHEMBL6673915 0.81 KDM4E (0.33) NCF1ALDH1A1KDM4EHPGDGAA
SCHEMBL6676375 0.80 KCNH2 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL6677689 0.79 KCNH2 (0.35) ALDH1A1KDM4EHPGDGAARAB9A
SCHEMBL6678907 0.77 ACHE (0.47) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL6677381 0.75 APP (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL7171335 0.75 KDM4E (0.35) ALDH1A1KDM4EHPGDEHMT2EHMT1
SCHEMBL6676065 0.74 KCNH2 (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A

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
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
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 PDE5A 2184/4885KCNH3 3855/4885NCF1 100/4885

“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.