SCHEMBL6674380

SCHEMBL6674380

CC(C)(C)c1ccc2c(c1)nc(NCCN1CCCCC1)n[n+]2[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
KDM4E B2RXH2 4/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
RECQL P46063 1/20 0.37
ACP1 P24666 1/20 0.36
SMARCA2 P51531 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
TOP2A P11388 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6675831 0.89 GRK6 (0.43) SIGMAR1KDM4EACHEMEN1KMT2A
SCHEMBL6678907 0.85 ACHE (0.47) KDM4EACHEALDH1A1MEN1KMT2A
SCHEMBL6675351 0.83 HRH3 (0.44) SIGMAR1ACHEMEN1KMT2AHRH3
SCHEMBL6674354 0.83 ACP1 (0.43) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL6676198 0.83 ACHE (0.38) SIGMAR1ACHEALDH1A1SMN1; SMN2MEN1
SCHEMBL6679541 0.80 TOP2A (0.48) ACHEHRH3ACP1SMARCA2TOP2A
SCHEMBL6677139 0.80 ACHE (0.48) KDM4EACHEALDH1A1MEN1KMT2A
SCHEMBL6679085 0.79 TOP2A (0.46) ACHEMEN1KMT2AHRH3ACP1
SCHEMBL2246141 0.79 ACP1 (0.36) SIGMAR1ACHEHRH3ACP1SMARCA2
SCHEMBL2246009 0.79 ACP1 (0.36) SIGMAR1ACHEHRH3ACP1SMARCA2

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 SIGMAR1 380/4885KDM4E 1298/4885ACHE 2852/4885

“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.