SCHEMBL6583984

SCHEMBL6583984

COc1cc(O)ccc1-c1cccc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.54
NOS3 P29474 5/20 0.51
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
NOS2 P35228 1/20 0.41
PTPN1 P18031 1/20 0.41
MCHR1 Q99705 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
GUSB P08236 1/20 0.39

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
SCHEMBL6618823 0.83 NOS1 (0.56) NOS1NOS3NOS2MCHR1CYP1A1
SCHEMBL218712 0.83 NOS1 (0.65) NOS1NOS3NOS2PTPN1
SCHEMBL8088773 0.80 MEN1 (0.51) NOS1NOS3ESR1ESR2MEN1
SCHEMBL3364095 0.79 HSP90AA1 (0.55) NOS1NOS3ADORA2AGAAPTPN1
SCHEMBL4282766 0.77 NOS1 (0.53) NOS1NOS3MEN1GAAKMT2A
SCHEMBL19390644 0.77 ESR1 (0.50) NOS1NOS3ESR1ESR2ADORA3
SCHEMBL6588366 0.76 ESR1 (0.43) NOS1ESR1ESR2ADORA3ADORA2A
SCHEMBL5776507 0.76 NOS1 (0.68) NOS1NOS3MEN1GAAKMT2A
SCHEMBL6585476 0.76 ANPEP (0.40) NOS1NOS3MEN1KMT2ANOS2
SCHEMBL4284903 0.75 NOS1 (0.54) NOS1NOS3MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1617743-A New pharmaceutical combinations for nos inhibitors PFIZER PROD INC (US) 2005-05-18 CN claimed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US claimed
JP-2003523941-A 2003-08-12 JP claimed
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US 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
CN-1617743-A New pharmaceutical combinations for nos inhibitors PFIZER PROD INC (US) 2005-05-18 CN disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
CN-1523015-A 2-amino-6-(2-substituted-4-phenoxy)-substituted-pyridines �Ʒ� 2004-08-25 CN disclosed
CN-1515554-A Intermediate compound for producing 2-amino-6-(2-substituted-4-phenoxy) substituted pyridine compound �Ʒ� 2004-07-28 CN disclosed
EP-0958282-B1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PROD INC (US) 2004-07-21 EP disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 US disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 US disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO disclosed
CN-1246848-A 2-amino-6- (2-substituted-4-phenoxy) -substituted pyridines PFIZER PROD INC (US) 2000-03-08 CN disclosed
EP-0958282-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES Pfizer Products Inc. (US) 1999-11-24 EP disclosed
WO-1998034919-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PRODUCTS INC. (US) 1998-08-13 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 (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-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 NOS1 110/4885NOS3 157/4885ESR1 2105/4885
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 NOS1 1/4885NOS3 4/4885ESR1 1823/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885ESR1 3310/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 NOS1 2484/4885NOS3 2496/4885ESR1 2452/4885

“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.