SCHEMBL6679164

SCHEMBL6679164

CN(C)C(=O)Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
ALDH1A1 P00352 4/20 0.49
TSHR P16473 5/20 0.48
LMNA P02545 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.46
ACHE P22303 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DDX3X O00571 1/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
BAZ1A Q9NRL2 1/20 0.44

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
SCHEMBL9797687 0.82 ALDH1A1 (0.51) ALDH1A1TSHRCES2CES1MAPT
SCHEMBL21445081 0.80 HSP90AA1 (0.65) HSP90AA1ALDH1A1TSHRLMNACES2
SCHEMBL11339267 0.80 GAA (0.56) ALDH1A1LMNACES1MAPTHTT
SCHEMBL11685637 0.79 HSP90AA1 (0.62) HSP90AA1ALDH1A1TSHRLMNACES2
SCHEMBL17266578 0.77 HSP90AA1 (0.65) HSP90AA1ALDH1A1TSHRLMNACES2
SCHEMBL13806904 0.75 HSP90AA1 (0.57) HSP90AA1ALDH1A1TSHRLMNACES2
SCHEMBL22852718 0.75 TERT (0.47) ALDH1A1LMNARAB9AACHESMN1; SMN2
SCHEMBL1145909 0.74 HSP90AA1 (0.71) HSP90AA1ALDH1A1TSHRLMNACES2
SCHEMBL1818189 0.74 HSP90AA1 (0.71) HSP90AA1ALDH1A1TSHRLMNACES2
SCHEMBL9798162 0.74 SRD5A2 (0.54) ALDH1A1TSHRLMNACES2CES1

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 11 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
US-4282168-A FUNGICIDES PPG INDUSTRIES, INC. (US) 1981-08-04 US disclosed
US-4213915-A FUNGICIDES, NEMATOCIDES PPG INDUSTRIES, INC. (US) 1980-07-22 US disclosed
US-4120886-A APHIDICIDES PPG INDUSTRIES, INC. (US) 1978-10-17 US disclosed
US-4117155-A APPLYING FUNGICIDE TO SOIL PPG INDUSTRIES, INC. (US) 1978-09-26 US disclosed
US-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 US disclosed
US-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 US disclosed
US-4056549-A PLANT PESTICIDE PPG INDUSTRIES, INC. (US) 1977-11-01 US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 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 HSP90AA1 1650/4885ALDH1A1 609/4885TSHR 4551/4885

“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.