SCHEMBL5344907

SCHEMBL5344907

Cc1ccc(C#N)c(Oc2cccc(C=O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.52
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
CYP19A1 P11511 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TTR P02766 1/20 0.40
SRC P12931 1/20 0.39
IMPDH2 P12268 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
SCHEMBL5339506 0.84 SMN1; SMN2 (0.46) ARCYP19A1MEN1ALDH1A1LMNA
SCHEMBL9889480 0.84 AR (0.56) ARMAOAMAOBALDH1A1TTR
SCHEMBL3168191 0.83 GAA (0.50) ARMAOAMAOBCYP19A1MEN1
Fumaric Acid SCHEMBL6817583 0.83 MAOA (0.40) ARMAOAMAOBALDH1A1IMPDH2
Fumaric Acid SCHEMBL6817580 0.83 MAOA (0.40) ARMAOAMAOBALDH1A1IMPDH2
SCHEMBL6500894 0.79 TTR (0.56) ARMAOAMAOBMEN1ALDH1A1
SCHEMBL19243059 0.79 MAOA (0.50) MAOAMAOBMEN1ALDH1A1LMNA
SCHEMBL7984102 0.79 AR (0.56) ARCYP19A1
SCHEMBL30185052 0.79 CYP19A1 (0.54) ARMAOAMAOBCYP19A1MEN1
SCHEMBL28686276 0.79 CYP19A1 (0.54) ARMAOAMAOBCYP19A1MEN1

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 AR 4088/4885MAOA 119/4885MAOB 18/4885
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 AR 3054/4885MAOA 549/4885MAOB 215/4885

“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.