SCHEMBL6586809

SCHEMBL6586809

COc1c(OCc2ccccc2)cccc1B(O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.71
ENPP2 Q13822 2/20 0.55
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR1A P08908 6/20 0.49
ADRA1D P25100 5/20 0.49
ADRA1A P35348 5/20 0.49
ADRA1B P35368 5/20 0.49
ABCB1 P08183 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
RXRA P19793 1/20 0.47
DRD2 P14416 1/20 0.46
BCHE P06276 1/20 0.46
ATM Q13315 1/20 0.46
MAOB P27338 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3413503 0.88 LIPE (0.66) LIPEENPP2L3MBTL1HTR1AADRA1D
SCHEMBL17912878 0.85 MAPT (0.66) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL23272706 0.84 LIPE (0.60) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL132403 0.83 LIPE (1.00) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL29591898 0.83 LIPE (1.00) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL6312645 0.82 HTR1A (0.63) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL22703367 0.81 LIPE (0.75) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL29955819 0.81 LIPE (0.65) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL30445162 0.81 HTR1A (0.58) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL11019947 0.81 HTR1A (0.58) LIPEMAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (2 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-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 LIPE 3954/4885ENPP2 1468/4885MAPT 746/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 LIPE 2270/4885ENPP2 1380/4885MAPT 320/4885

“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.