SCHEMBL6678645

SCHEMBL6678645

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SCN4A P35499 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
ALOX12 P18054 1/20 0.35
HIF1A Q16665 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DHFR P00374 3/20 0.33

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
SCHEMBL6691836 0.81 NFKB1 (0.35) NPC1RAB9ASCN4ASMN1; SMN2ALDH1A1
SCHEMBL5450019 0.79 MAPT (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5109963 0.78 KMT2A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL31097094 0.76 PABPC1 (0.47) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL31097091 0.76 PABPC1 (0.47) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL5108064 0.76 BACE1 (0.37) NPC1ALDH1A1KMT2AKDM4E
SCHEMBL2777957 0.75 CRHBP (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6678644 0.75 TYMS (0.33)
SCHEMBL2777593 0.75 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6678626 0.75 HRH4 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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 NPC1 3185/4885RAB9A 4857/4885SCN4A 1079/4885

“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.