SCHEMBL6679644

SCHEMBL6679644

CCc1nc2ccc(OCCN3CCOCC3)cc2[n+]([O-])n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2776140 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1CYP1A2CHRM2
SCHEMBL6674667 0.85 KDM4E (0.49) ACHENPC1ALDH1A1KDM4EMEN1
SCHEMBL6674330 0.85 KDM4E (0.55) ACHENPC1ALDH1A1KDM4EMEN1
SCHEMBL6675992 0.79 APP (0.38) ALDH1A1MAPK1LMNA
SCHEMBL2776315 0.77 ALDH1A1 (0.53) NPC1ALDH1A1KDM4EMAPK1CYP1A2
SCHEMBL6029115 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EMAPK1CYP1A2CHRM2
SCHEMBL2245987 0.73 TMEM97 (0.33) SIGMAR1
SCHEMBL5461523 0.72 KDM4E (0.39) NPC1ALDH1A1KDM4EMAPK1CYP1A2
SCHEMBL6674860 0.72 PIK3CA (0.48) ALDH1A1CYP1A2USP2LMNARAB9A
SCHEMBL4485540 0.71 LTA4H (0.69) NPC1ALDH1A1KDM4EMAPK1CYP1A2

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 ACHE 2852/4885NPC1 3185/4885ALDH1A1 609/4885

“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.