SCHEMBL519052

SCHEMBL519052

O=C1CCCc2ccccc2[N]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
NOS3 P29474 2/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.41
CES1 P23141 1/20 0.35
MIF P14174 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL56649 0.87 NOS3 (0.52) CYP2A6MAOAMAOBNOS3NOS1
SCHEMBL124176 0.76 CYP1A2 (0.44) CYP2A6MAOAMAOBNOS3NOS1
SCHEMBL14999656 0.75 TSHR (0.52) CYP2A6MAOAMAOBNOS3NOS1
SCHEMBL688175 0.74 NOS3 (0.56) CYP2A6NOS3NOS1NOS2TSHR
SCHEMBL22983115 0.71 NOS3 (0.77) CYP2A6MAOAMAOBNOS3NOS1
SCHEMBL14566440 0.68 NOS3 (0.50) CYP2A6MAOAMAOBNOS3NOS1
SCHEMBL184263 0.68
SCHEMBL29354295 0.68
SCHEMBL9662 0.68
SCHEMBL451157 0.68 TSHR (0.86) CYP2A6MAOAMAOBTSHRMAPT

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 182 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074115-B1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2018-03-07 EP claimed
US-9708267-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US claimed
US-9650391-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS INC. (US) 2017-05-16 US claimed
EP-2484679-B1 N3-heteroaryl substituted triazoles and n5-heteroaryl substitued triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS INC (US) 2016-09-28 EP claimed
US-8796259-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US claimed
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2013-05-02 US claimed
EP-2563761-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-03-06 EP claimed
WO-2011137089-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-03 WO claimed
EP-2074115-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2009-07-01 EP claimed
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-31 US claimed
EP-1420796-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-05-26 EP claimed
US-6645974-B2 Administering an androstamide compound; osteoporosis, anticancer agents, glandular disorders MERCK & CO., INC. 2003-11-11 US claimed
US-20030065004-A1 Androgen receptor modulators and methods for use thereof MERCK SHARP & DOHME CORP. 2003-04-03 US claimed
WO-2003011302-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-02-13 WO claimed
US-20020040047-A1 Novel Use ASTRAZENECA AB (SE) 2002-04-04 US claimed
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP claimed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US claimed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO claimed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP claimed
US-4616014-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-07 US claimed

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-20030065004-A1 Androgen receptor modulators and methods for use thereof AR, FSHR, SHBG CYP2A6 1559/4885MAOA 3596/4885MAOB 4159/4885
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PKLR CYP2A6 2194/4885MAOA 2783/4885MAOB 3119/4885
US-20020040047-A1 Novel Use FPR3, NOX4, LTC4S CYP2A6 387/4885MAOA 930/4885MAOB 1038/4885
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 CYP2A6 3436/4885MAOA 1578/4885MAOB 1037/4885

“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.