SCHEMBL5833404

SCHEMBL5833404

Nc1cccc(-c2ccc(OCCN3CCc4ccccc4C3)c3c2CCCC3)n1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 12/20 0.76
NOS1 P29475 12/20 0.76
NOS2 P35228 12/20 0.76
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5833752 0.87 NOS3 (0.74) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL5834286 0.87 NOS3 (1.00) NOS3NOS1NOS2SMN1; SMN2TDP1
SCHEMBL5833602 0.86 NOS3 (0.67) NOS3NOS1NOS2
SCHEMBL5833601 0.86 NOS3 (1.00) NOS3NOS1NOS2
SCHEMBL5833728 0.86 NOS3 (0.98) NOS3NOS1NOS2SMN1; SMN2TDP1
SCHEMBL5834398 0.86 NOS3 (0.98) NOS3NOS1NOS2SMN1; SMN2TDP1
SCHEMBL7126075 0.85 NOS3 (0.79) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL5833230 0.85 NOS3 (0.67) NOS3NOS1NOS2
SCHEMBL5833606 0.84 NOS3 (1.00) NOS3NOS1NOS2SMN1; SMN2TDP1
SCHEMBL5834287 0.84 NOS3 (1.00) NOS3NOS1NOS2

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 13 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 claimed
JP-2003523941-A 2003-08-12 JP claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
US-7012078-B2 2-aminopyridines containing fused ring substituents PFIZER INC. (US) 2006-03-14 US disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 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-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP disclosed
US-20010049379-A1 2-aminopyridines containing fused ring substituents LOWE JOHN ADAMS (US) 2001-12-06 US disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS3 2/4885NOS1 1/4885NOS2 6/4885
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.