SCHEMBL5833906

SCHEMBL5833906

Cc1cc(-c2cccc(-c3ccc(OCC(=O)O)c4c3CCCC4)n2)c(C)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.44
NOS1 P29475 7/20 0.44
NOS2 P35228 7/20 0.44
PPARD Q03181 5/20 0.39
PPARG P37231 2/20 0.39
KDM4E B2RXH2 2/20 0.39
FHIT P49789 1/20 0.39
PPARA Q07869 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL5833973 0.89 NOS3 (0.42) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL7083838 0.85 NOS3 (0.51) NOS3NOS1NOS2RXRARXRB
SCHEMBL5834000 0.84 NOS3 (0.45) NOS3NOS1NOS2RXRARXRB
SCHEMBL7956318 0.84 FHIT (0.37) PPARDPPARGKDM4EFHITPPARA
SCHEMBL5833803 0.82 NOS3 (0.67) NOS3NOS1NOS2KDM4E
SCHEMBL6153077 0.80 NOS3 (0.46) NOS3NOS1NOS2PPARDKDM4E
SCHEMBL5833910 0.79 NOS3 (0.46) NOS3NOS1NOS2PPARDPPARG
SCHEMBL5833170 0.78 NOS3 (0.35) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL7086013 0.77 NOS3 (0.49) NOS3NOS1NOS2KDM4E
SCHEMBL5833902 0.74 NOS3 (0.41) NOS3NOS1NOS2PPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012078-B2 2-aminopyridines containing fused ring substituents PFIZER INC. (US) 2006-03-14 US disclosed
EP-1007520-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PROD INC (US) 2003-08-27 EP disclosed
US-20030149017-A1 2-Aminopyridines containing fused ring substituents PFIZER INC. 2003-08-07 US disclosed
EP-1155000-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS PFIZER PROD INC (US) 2003-07-16 EP disclosed
US-6372768-B2 NERVOUS SYSTEM DISORDERS PFIZER INC 2002-04-16 US disclosed
US-20010049379-A1 2-aminopyridines containing fused ring substituents LOWE JOHN ADAMS (US) 2001-12-06 US disclosed
EP-1155000-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS Pfizer Products Inc. (US) 2001-11-21 EP disclosed
US-20010014689-A1 2-aminopyridines containing fused ring substituents LOWE JOHN A (US) 2001-08-16 US disclosed
US-6211208-B1 INHIBITION OF NITRIC OXIDE SYNTHETASE, ANTIINFLAMMATORY AGENTS PFIZER INC 2001-04-03 US disclosed
WO-2000050400-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS PFIZER PRODUCTS INC. (US) 2000-08-31 WO disclosed
EP-1007520-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-1999010339-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-04 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 (3 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-20030149017-A1 2-Aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885
US-20010014689-A1 2-aminopyridines containing fused ring substituents CBR1, CBR3, NOS2 NOS3 4/4885NOS1 5/4885NOS2 3/4885
US-20010049379-A1 2-aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885

“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.