SCHEMBL5833174

SCHEMBL5833174

Cc1ccc(C)n1-c1cccc(-c2ccc(O)c3c2CCCC3)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.38
NOS1 P29475 7/20 0.38
NOS2 P35228 7/20 0.38
AR P10275 1/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
ALDH1A1 P00352 4/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
CASP6 P55212 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7083841 0.80 NOS3 (0.53) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL5833910 0.78 NOS3 (0.46) NOS3NOS1NOS2KDM4E
SCHEMBL5833268 0.78 IDO1 (0.38) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL5834002 0.77 NOS3 (0.47) NOS3NOS1NOS2LMNAMAPT
SCHEMBL5833806 0.77 NOS3 (0.69) NOS3NOS1NOS2KDM4E
SCHEMBL5833977 0.76 NOS3 (0.44) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL8090303 0.75 MEN1 (0.47) ALDH1A1MAPTPOLBHSD17B10USP2
SCHEMBL6152642 0.73 NOS3 (0.41) NOS3NOS1NOS2
SCHEMBL5833170 0.73 NOS3 (0.35) NOS3NOS1NOS2ARBCL2L1
SCHEMBL7086015 0.71 NOS3 (0.51) NOS3NOS1NOS2ALDH1A1LMNA

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.