SCHEMBL6673515

SCHEMBL6673515

CN(C)CCN(C)c1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
APOBEC3A P31941 1/20 0.35
RAD52 P43351 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
TOP2A P11388 3/20 0.33
NCF1 P14598 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 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
SCHEMBL8650175 0.81 NUDT1 (0.41) NPC1POLBRAB9AKMT2ANCF1
SCHEMBL6679474 0.78 TAAR1 (0.37) SLC2A1NPC1POLBAPOBEC3ARAD52
SCHEMBL6678946 0.75 NCF1 (0.44) SLC2A1NPC1POLBAPOBEC3ARAD52
Hydrochloric Acid SCHEMBL6674090 0.74 RAD52 (0.40) SLC2A1NPC1POLBAPOBEC3ARAD52
SCHEMBL6675510 0.73 RAD52 (0.51) SLC2A1NPC1POLBAPOBEC3ARAD52
SCHEMBL11121196 0.71 MEN1 (0.37) NPC1POLBRAB9AKMT2ACRHBP
SCHEMBL6676223 0.69 CRHBP (0.40) NPC1POLBRAB9AKMT2AALDH1A1
SCHEMBL6673749 0.68 CRHBP (0.37) NPC1POLBRAB9AKMT2ABCHE
SCHEMBL800508 0.67 SMN1; SMN2 (0.47) KMT2AHTT
SCHEMBL6676368 0.66 CRHBP (0.49) NPC1POLBRAB9AKMT2AALDH1A1

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 SLC2A1 2622/4885NPC1 3185/4885POLB 2984/4885

“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.