SCHEMBL6678038

SCHEMBL6678038

COc1cc2c(cc1C)nc(NCCN1CCCCC1)n[n+]2[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT5A Q9NQR1 8/20 0.44
PGK1 P00558 4/20 0.42
EHMT2 Q96KQ7 3/20 0.40
KDM1A O60341 2/20 0.40
RCOR1 Q9UKL0 2/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SRC P12931 2/20 0.39
PDGFRB P09619 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
EHMT1 Q9H9B1 1/20 0.38

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
SCHEMBL6674354 0.83 ACP1 (0.43) KMT5APGK1EHMT2KDM1ARCOR1
SCHEMBL6676209 0.82 KMT5A (0.44) KMT5APGK1EHMT2KDM1ARCOR1
SCHEMBL6678907 0.81 ACHE (0.47) KDM4EALDH1A1HSD17B10SRC
SCHEMBL6677139 0.81 ACHE (0.48) KDM4EALDH1A1HSD17B10SRC
SCHEMBL2246009 0.79 ACP1 (0.36) KMT5ATLR9TLR7SRC
SCHEMBL2246141 0.79 ACP1 (0.36) KMT5ATLR9TLR7SRC
SCHEMBL6679538 0.79 KDM1A (0.43) EHMT2KDM1ARCOR1P2RX3P2RX2
SCHEMBL6674061 0.78 MEN1 (0.43) KDM4EALDH1A1LMNAMAPTATM
SCHEMBL6675351 0.77 HRH3 (0.44)
SCHEMBL6676198 0.77 ACHE (0.38) KMT5AALDH1A1LMNAP2RX3P2RX2

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 KMT5A 214/4885PGK1 3212/4885EHMT2 167/4885

“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.