SCHEMBL424370

SCHEMBL424370

COc1cc(OC2CN(C)C2)ccc1-c1cccc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 14/20 0.54
NOS3 P29474 10/20 0.54
NOS2 P35228 6/20 0.54
TLR9 Q9NR96 2/20 0.41
TLR7 Q9NYK1 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 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
SCHEMBL221344 0.92 NOS1 (0.65) NOS1NOS3NOS2CHEK1
SCHEMBL221859 0.89 NOS1 (0.57) NOS1NOS3NOS2CHEK1
SCHEMBL6583260 0.86 NOS1 (0.42) NOS1NOS3NOS2TLR9TLR7
SCHEMBL6585068 0.85 NOS1 (0.46) NOS1NOS3NOS2TLR9TLR7
SCHEMBL222403 0.84 NOS3 (0.54) NOS1NOS3NOS2
SCHEMBL221586 0.83 NMT1 (0.45) NOS1NOS3NOS2CHEK1
SCHEMBL16241883 0.82 NOS1 (0.51) NOS1NOS3NOS2CHEK1
SCHEMBL6695725 0.82 CACNB4 (0.43) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL220335 0.81 CHEK1 (0.47) NOS1NOS3NOS2CHEK1
SCHEMBL222732 0.81 NOS1 (0.42) NOS1NOS3NOS2TLR9TLR7

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
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
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-11-26 US disclosed
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-06 US disclosed
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF GLAXOSMITHKLINE LLC (US) 2015-06-25 US disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-20110009496-A1 RESVERATROL FORMULATIONS SIRTRIS PHARMACEUTICAS, INC. (US) 2011-01-13 US disclosed
US-20070248590-A1 Modulators of CDC2-like kinases (CLKS) and methods of use thereof SIRTRIS PHARMACEUTICALS, INC. (US) 2007-10-25 US disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20110009496-A1 RESVERATROL FORMULATIONS SIRT1, SIRT5, SIRT2 NOS1 728/4885NOS3 1835/4885NOS2 1029/4885
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NNT, CS, ME2 NOS1 1659/4885NOS3 1327/4885NOS2 1778/4885
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 NOS1 110/4885NOS3 157/4885NOS2 192/4885
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 4/4885NOS2 3/4885
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRT1, NAMPT, SIRT2 NOS1 156/4885NOS3 243/4885NOS2 217/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885NOS2 6/4885
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof NNT, CS, ME2 NOS1 1659/4885NOS3 1327/4885NOS2 1778/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NOS1 357/4885NOS3 349/4885NOS2 422/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NOS1 357/4885NOS3 349/4885NOS2 422/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 NOS1 2484/4885NOS3 2496/4885NOS2 2428/4885

“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.