SCHEMBL5340355

SCHEMBL5340355

CNc1ccc([N+](=O)[O-])c(Oc2cccc(CN)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
HTR6 P50406 2/20 0.39
PLAU P00749 1/20 0.38
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
MAPT P10636 7/20 0.37
MAPK1 P28482 2/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
APEX1 P27695 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
Hydrochloric Acid SCHEMBL5356837 0.99 F10 (0.41) F10HTR6PLAUMEN1KMT2A
SCHEMBL5354129 0.84 F10 (0.45) F10HTR6PLAUMEN1KMT2A
SCHEMBL5349810 0.83 MAOB (0.49) F10PLAUMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5346084 0.83 F10 (0.44) F10HTR6PLAUMEN1KMT2A
Hydrochloric Acid SCHEMBL5344266 0.82 MAOB (0.50) F10PLAUMEN1KMT2AMAPT
SCHEMBL5339430 0.81 MAPT (0.47) F10HTR6PLAUMEN1KMT2A
SCHEMBL5355976 0.81 PDE7A (0.47) F10HTR6MEN1KMT2AMAPT
SCHEMBL5205037 0.81 KMT2A (0.48) F10MEN1KMT2AMAPTMAPK1
Hydrochloric Acid SCHEMBL5344195 0.81 PDE7A (0.46) F10HTR6MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5346749 0.81 MAPT (0.46) F10HTR6PLAUMEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119122-B2 Compounds for the inhibition of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US claimed
US-20040260088-A1 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines ASTRAZENECA AB (SE) 2004-12-23 US claimed
EP-1434756-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-07-07 EP claimed
WO-2003029185-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-04-10 WO claimed
US-7276528-B2 Compounds for the inhibition of nitric oxide synthase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
US-7119122-B2 Compounds for the inhibition of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US disclosed
US-20060217424-A1 Nitro- or cyanopyridines substituted by an aminoalkylaryloxy- or aminoalkylarylethio- group, e.g., 2-(2-methoxy-3-methylaminomethyl-phenoxy)-6-trifluoromethyl-nicotinonitrile; treating rheumatoid arthritis, osteoarthritis, inflammatory bowel disease, chronic obstructive pulmonary disease and pain CONNOLLY STEPHEN 2006-09-28 US disclosed
US-20040260088-A1 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines ASTRAZENECA AB (SE) 2004-12-23 US disclosed
EP-1434756-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-07-07 EP disclosed
WO-2003029185-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-04-10 WO 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 (2 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-20040260088-A1 2,4-disubstituted benzonitriles or nitrobenzenes; nitric oxide synthase inhibitors; antiinflammatory agents, analgesics; central nervous system disorders, migraines NOS1, NOS3, NOS2 F10 668/4885HTR6 814/4885PLAU 2225/4885
US-20060217424-A1 Nitro- or cyanopyridines substituted by an aminoalkylaryloxy- or aminoalkylarylethio- group, e.g., 2-(2-methoxy-3-methylaminomethyl-phenoxy)-6-trifluoromethyl-nicotinonitrile; treating rheumatoid arthritis, osteoarthritis, inflammatory bowel disease, chronic obstructive pulmonary disease and pain NOS3, NOS1, NOS2 F10 1498/4885HTR6 1137/4885PLAU 2724/4885

“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.