SCHEMBL6674330

SCHEMBL6674330

[O-][n+]1nc(Cl)nc2ccc(OCCN3CCOCC3)cc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 2/20 0.52
ACHE P22303 2/20 0.52
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
LTA4H P09960 3/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.44
RUNX1 Q01196 1/20 0.43
PDE2A O00408 1/20 0.43

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
SCHEMBL6674667 0.87 KDM4E (0.49) KDM4EALDH1A1NPC1ACHELTA4H
SCHEMBL6679644 0.85 ACHE (0.48) KDM4EALDH1A1NPC1ACHELTA4H
SCHEMBL5457953 0.77 APP (0.39) ALDH1A1FGFR1PDE2A
SCHEMBL21642566 0.77 KDM4E (0.65) KDM4EALDH1A1NPC1ACHETSHR
SCHEMBL2776315 0.72 ALDH1A1 (0.53) KDM4EALDH1A1NPC1TSHRFGFR1
SCHEMBL11274158 0.72 ALDH1A1 (0.62) KDM4EALDH1A1NPC1TSHRLTA4H
SCHEMBL2776140 0.72 ALDH1A1 (0.52) KDM4EALDH1A1TSHRFGFR1SRC
SCHEMBL6674860 0.72 PIK3CA (0.48) ALDH1A1TSHRTP53RAB9A
SCHEMBL6359779 0.71 KDM4E (0.54) KDM4EALDH1A1NPC1TSHRTP53
SCHEMBL5755028 0.71 KDM4E (0.71) KDM4EALDH1A1NPC1ACHETSHR

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 KDM4E 1298/4885ALDH1A1 609/4885NPC1 3185/4885

“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.