SCHEMBL5340654

SCHEMBL5340654

N#Cc1ccc(Cl)cc1Oc1cccc(CNCCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
PGGT1B P53609 2/20 0.43
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
BCHE P06276 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
NOS2 P35228 1/20 0.38

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 SCHEMBL5342439 0.92 KDM4E (0.42) CHRM2FNTAFNTBPGGT1BLMNA
Fumaric Acid SCHEMBL5342450 0.92 KDM4E (0.42) CHRM2FNTAFNTBPGGT1BLMNA
SCHEMBL5346833 0.87 SLC6A4 (0.45) CHRM2FNTAFNTBPGGT1BLMNA
SCHEMBL5340872 0.85 SLC6A4 (0.44) CHRM2FNTAFNTBPGGT1BLMNA
SCHEMBL5342446 0.84 KDM4E (0.42) CHRM2FNTAFNTBPGGT1BLMNA
SCHEMBL5346518 0.84 SLC6A4 (0.43) CHRM2FNTAFNTBPGGT1BHTR2A
SCHEMBL5357366 0.83 SLC6A4 (0.56) FNTAFNTBPGGT1BHTR2ASLC6A4
Fumaric Acid SCHEMBL5347273 0.81 NOS2 (0.41) FNTAFNTBPGGT1BLMNAHTR2A
Fumaric Acid SCHEMBL5347266 0.81 NOS2 (0.41) FNTAFNTBPGGT1BLMNAHTR2A
SCHEMBL5349683 0.80 MAPK14 (0.47) FNTAFNTBPGGT1BHTR2ASLC6A4

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 CHRM2 420/4885FNTA 3780/4885FNTB 2004/4885
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 CHRM2 6/4885FNTA 1605/4885FNTB 681/4885

“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.