SCHEMBL6678656

SCHEMBL6678656

CCCCSc1cccc(N)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
HASPIN Q8TF76 1/20 0.40
TLR8 Q9NR97 1/20 0.40
PDE7A Q13946 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.36
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL31462332 0.91 MAPT (0.43) PTGS2HASPINPDE7ASMN1; SMN2ALDH1A1
SCHEMBL20787703 0.84 TSHR (0.47) PTGS2HASPINPDE7ASMN1; SMN2ALDH1A1
SCHEMBL5249911 0.82 CA2 (0.46) PDE7ASMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL6675904 0.79 MEN1 (0.42) PTGS2TLR8PDE7ASMN1; SMN2ALDH1A1
SCHEMBL8599148 0.77 HASPIN (0.41) HASPINALDH1A1KDM4EMAPTMEN1
SCHEMBL425178 0.77 TLR8 (0.54) PTGS2TLR8SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3025068 0.76 PDE7A (0.46) PDE7ASMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL5950070 0.76 PDE7A (0.58) PDE7ASMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL8973221 0.75 PTGS2 (0.49) PTGS2PDE7ASMN1; SMN2ALDH1A1TDP1
SCHEMBL22531432 0.75 POLB (0.62) PDE7ASMN1; SMN2ALDH1A1KDM4ETDP1

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 PTGS2 291/4885HASPIN 1550/4885TLR8 3730/4885

“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.