SCHEMBL3518684

SCHEMBL3518684

O=C(O)Cn1c(=O)[nH]cc([N+](=O)[O-])c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.46
GRIK2 Q13002 6/20 0.46
GRIK5 Q16478 6/20 0.46
GRIA1 P42261 6/20 0.46
GRIA2 P42262 6/20 0.46
GRIA4 P48058 6/20 0.46
GRIA3 P42263 5/20 0.46
GRIK3 Q13003 5/20 0.46
GRIK4 Q16099 3/20 0.46
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
APEX1 P27695 1/20 0.39
SLC9A1 P19634 1/20 0.38
RAD52 P43351 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36

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
SCHEMBL5797007 0.75 CFTR (0.50)
SCHEMBL2153695 0.75 SLC9A1 (0.63) GRIA1GRIA2GRIA4GRIA3APEX1
SCHEMBL17870732 0.75 FPR1 (0.42) GRIA1GRIA2GRIA4GRIA3APEX1
SCHEMBL26948700 0.74 ADORA2B (0.42)
SCHEMBL21685452 0.73 TSHR (0.41) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL7366632 0.72 ADORA2B (0.43) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL136441 0.71 SLC9A1 (0.41) GRIA1GRIA2GRIA4GRIA3APEX1
SCHEMBL261099 0.71 APEX1 (0.47) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL25183490 0.69 ALDH1A1 (0.41) GRIA1GRIA2GRIA4GRIA3APEX1
SCHEMBL11480035 0.68 KDM4E (0.50) GRIK1GRIK2GRIK5GRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US 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 (4 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 GRIK1 919/4885GRIK2 1512/4885GRIK5 669/4885
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 GRIK1 1500/4885GRIK2 1883/4885GRIK5 1421/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 GRIK1 1123/4885GRIK2 1642/4885GRIK5 1054/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 GRIK1 1500/4885GRIK2 1883/4885GRIK5 1421/4885

“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.