SCHEMBL6679519

SCHEMBL6679519

CCCN(CCC)CCNc1nc2cc(Cl)ccc2[n+]([O-])n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR4 P51679 3/20 0.38
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.35
FLT3 P36888 5/20 0.34
GRK6 P43250 1/20 0.33
CDK1 P06493 1/20 0.32
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL6673982 0.92 HTT (0.49) KDM4ELMNAHTTHSD17B10CCR4
SCHEMBL6677689 0.87 KCNH2 (0.35) KDM4EHSD17B10RAB9A
SCHEMBL6675559 0.86 GRK6 (0.35) KDM4EHSD17B10FLT3GRK6
SCHEMBL6676122 0.84 FLT3 (0.34) FLT3
SCHEMBL6673992 0.84 HTR1D (0.35)
Hydrochloric Acid SCHEMBL6676590 0.81 BCHE (0.37) KDM4ETP53
SCHEMBL6422103 0.80 ALDH1A1 (0.48) KDM4E
SCHEMBL3385028 0.79 CA12 (0.34)
SCHEMBL6676375 0.78 KCNH2 (0.42) KDM4ELMNAHTTHSD17B10CCR4
SCHEMBL6679553 0.75 FLT3 (0.41) KDM4ELMNAHTTHSD17B10CCR4

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 1298/4885LMNA 4583/4885HTT 3552/4885

“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.