SCHEMBL5347396

SCHEMBL5347396

N#Cc1ccc(Cl)cc1Oc1cccc(CN2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.53
FNTB P49356 8/20 0.53
PGGT1B P53609 8/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.49
FAAH O00519 2/20 0.47
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SCN9A Q15858 1/20 0.43

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
Fumaric Acid SCHEMBL5343181 0.91 FAAH (0.47) FNTAFNTBPGGT1BALDH1A1LMNA
Fumaric Acid SCHEMBL5343184 0.91 FAAH (0.47) FNTAFNTBPGGT1BALDH1A1LMNA
SCHEMBL5338713 0.80 FNTA (0.50) FNTAFNTBPGGT1BNOS2SCN9A
Hydrochloric Acid SCHEMBL5345494 0.79 FNTA (0.49) FNTAFNTBPGGT1BNOS2SCN9A
SCHEMBL3503158 0.78 FNTA (0.74) FNTAFNTBPGGT1B
SCHEMBL5357366 0.78 SLC6A4 (0.56) FNTAFNTBPGGT1BNOS2
SCHEMBL5348856 0.77 SLC6A4 (0.49) FNTAFNTBPGGT1BNOS3NOS1
SCHEMBL3516306 0.76 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL5346833 0.74 SLC6A4 (0.45) FNTAFNTBPGGT1BALDH1A1LMNA
SCHEMBL5349683 0.74 MAPK14 (0.47) FNTAFNTBPGGT1BALDH1A1NOS2

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 FNTA 3780/4885FNTB 2004/4885PGGT1B 2692/4885
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 FNTA 1605/4885FNTB 681/4885PGGT1B 1851/4885

“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.