SCHEMBL6674874

SCHEMBL6674874

O=C(O)Cc1ccc(Nc2nc3ccccc3[n+]([O-])n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.48
AURKA O14965 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
IKBKB O14920 1/20 0.42
PDE4D Q08499 3/20 0.42
FFAR1 O14842 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL6680537 0.83 NPY5R (0.47) AURKAIKBKB
SCHEMBL6679169 0.82 KDM4E (0.47) AURKAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6676384 0.82 HDAC3 (0.39) PDE4BAURKAHDAC3HDAC4HDAC1
SCHEMBL6677271 0.79 HDAC3 (0.41) PDE4BAURKAHDAC3HDAC4HDAC1
SCHEMBL25208697 0.76 ALDH1A1 (0.45)
SCHEMBL5118511 0.74 MERTK (0.47)
SCHEMBL5107999 0.71 KMT2A (0.49)
SCHEMBL5450923 0.70 IDO1 (0.46)
SCHEMBL3771108 0.69 ALDH1A1 (0.61) PDE4B
SCHEMBL5104884 0.69 KDM1A (0.55)

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 PDE4B 3705/4885AURKA 2051/4885HDAC3 1292/4885

“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.