SCHEMBL6679508

SCHEMBL6679508

CCN(CCCNc1nc2ccccc2[n+]([O-])n1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TSHR P16473 1/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 1/20 0.37
CACNA2D1 P54289 1/20 0.36
TOP2A P11388 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
SLC2A1 P11166 1/20 0.36
APOBEC3A P31941 1/20 0.36
RAD52 P43351 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TRIM58 Q8NG06 1/20 0.35
CASP6 P55212 1/20 0.35
KDM1A O60341 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6676526 0.93 IDO1 (0.41) IDO1BCHEACHEPOLBNPC1
SCHEMBL6366253 0.83 TSHR (0.53) TSHRBCHEACHECACNA2D1TOP2A
SCHEMBL5455035 0.83 IDO1 (0.41) IDO1BCHEACHEPOLBNPC1
SCHEMBL6679514 0.81 TSHR (0.37) IDO1TSHRBCHEACHECACNA2D1
SCHEMBL6676529 0.81 IDO1 (0.39) IDO1BCHEACHEPOLBKMT2A
SCHEMBL6675510 0.81 RAD52 (0.51) TOP2APOLBNPC1SLC2A1APOBEC3A
SCHEMBL6676039 0.79 RAD52 (0.48) IDO1POLBRAD52KMT2ACASP6
SCHEMBL5450923 0.79 IDO1 (0.46) IDO1ACHETOP2APOLBRAD52
SCHEMBL14428363 0.78 IDO1 (0.47) IDO1BCHEACHEKDM1AEHMT2
SCHEMBL25208697 0.77 ALDH1A1 (0.45) IDO1TSHRPOLBKMT2AALDH1A1

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 IDO1 759/4885TSHR 4551/4885BCHE 3216/4885

“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.