SCHEMBL6674680

SCHEMBL6674680

Nc1nc2cc(C(F)(F)F)ccc2[n+]([O-])n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
EPHX2 P34913 1/20 0.40
SCN4A P35499 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
NPBWR1 P48145 2/20 0.34
ILK Q13418 2/20 0.34
MPL P40238 2/20 0.33
MET P08581 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
APP P05067 1/20 0.33
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 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
SCHEMBL5996027 0.88 BACE1 (0.45) BACE1EPHX2SCN4AKDM4ENOS3
SCHEMBL6678626 0.84 HRH4 (0.39) KDM4EPKM
SCHEMBL6674249 0.81 KDM4E (0.38) BACE1EPHX2SCN4AKDM4ENPBWR1
SCHEMBL5109963 0.78 KMT2A (0.41) KDM4E
SCHEMBL31097091 0.76 PABPC1 (0.47) BACE1KDM4EAPP
SCHEMBL5450019 0.76 MAPT (0.38) BACE1KDM4E
SCHEMBL31097094 0.76 PABPC1 (0.47) BACE1KDM4EAPP
SCHEMBL4275240 0.76 PIK3CG (0.47) BACE1EPHX2KDM4EMAPK1
SCHEMBL6678644 0.72 TYMS (0.33)
SCHEMBL5105475 0.72 DHFR (0.50) BACE1KDM4E

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 4 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 claimed
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 claimed
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 BACE1 1917/4885EPHX2 922/4885SCN4A 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.