SCHEMBL6674249

SCHEMBL6674249

[O-][n+]1nc(Cl)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
BACE1 P56817 1/20 0.35
NPBWR1 P48145 2/20 0.33
EPHX2 P34913 1/20 0.33
SCN4A P35499 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
C1R P00736 1/20 0.32
DGAT1 O75907 2/20 0.32
KCNH2 Q12809 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 1/20 0.32
METAP2 P50579 1/20 0.32
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PDE2A O00408 1/20 0.31

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
SCHEMBL11316632 0.88 BACE1 (0.38) KDM4EBACE1NPBWR1EPHX2SCN4A
SCHEMBL6673662 0.84 SCN10A (0.35) KCNH2MEN1KMT2AMETAP2
SCHEMBL6674680 0.81 BACE1 (0.41) KDM4EBACE1NPBWR1EPHX2SCN4A
SCHEMBL2778218 0.79 KDM4E (0.33) KDM4EBACE1KMT2A
SCHEMBL6690674 0.78 NR4A2 (0.35) KDM4EBACE1MEN1KMT2A
SCHEMBL25074946 0.76 HTT (0.40) BACE1
SCHEMBL2776738 0.72 CRHBP (0.43) KDM4EL3MBTL1MEN1KMT2A
SCHEMBL6679202 0.71 KCNH2 (0.42) KCNH2MEN1KMT2A
SCHEMBL5066814 0.71 TDP1 (0.38) KDM4EPKMMEN1KMT2A
SCHEMBL10953240 0.70 AMY1A (0.35) KDM4EBACE1PKMMEN1KMT2A

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 1298/4885BACE1 1917/4885NPBWR1 1187/4885

“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.