SCHEMBL5345400

SCHEMBL5345400

COc1c(C=O)cccc1Oc1cc(Br)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
BCAT1 P54687 2/20 0.40
ALOX5 P09917 1/20 0.39
SRC P12931 1/20 0.39
ERN1 O75460 2/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
AR P10275 5/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5342569 0.86 CYP1A2 (0.48) FNTAFNTBPGGT1BCA1CA2
SCHEMBL5343831 0.85 FNTA (0.41) FNTAFNTBPGGT1BCA1CA2
SCHEMBL5344230 0.82 AR (0.45) FNTAFNTBPGGT1BCA1CA2
SCHEMBL5339969 0.80 AR (0.39) FNTAFNTBPGGT1BCA1CA2
SCHEMBL3971489 0.77 AR (0.51) FNTAFNTBPGGT1BBCAT1AR
SCHEMBL5344269 0.77 FNTA (0.43) FNTAFNTBPGGT1BARALDH1A1
SCHEMBL5343993 0.77 GPR119 (0.43) FNTAFNTBPGGT1BCA1CA2
SCHEMBL5340464 0.75 CA1 (0.40) CA1CA2BCAT1SRCERN1
Fumaric Acid SCHEMBL5345606 0.74 KDM4E (0.45) FNTAFNTBPGGT1BALDH1A1LMNA
Fumaric Acid SCHEMBL5345611 0.74 KDM4E (0.45) FNTAFNTBPGGT1BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.