SCHEMBL3366607

SCHEMBL3366607

COc1cc(N)ccc1-c1ccc(-c2ccc(N)cc2OC)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.61
IMPDH1 P20839 1/20 0.61
MAPT P10636 5/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
PDE4A P27815 1/20 0.44
NR4A1 P22736 1/20 0.43
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.38
SLC9A1 P19634 1/20 0.38
LCK P06239 1/20 0.37
CYP19A1 P11511 2/20 0.37

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
SCHEMBL10915440 0.88 IMPDH2 (0.54) IMPDH2IMPDH1MAPTGAATSHR
SCHEMBL30839714 0.83 MAPT (0.59) IMPDH2IMPDH1MAPTGAATSHR
SCHEMBL347390 0.83 MAPT (0.59) IMPDH2IMPDH1MAPTGAATSHR
Hydrochloric Acid SCHEMBL10604756 0.81 MAPT (0.57) IMPDH2IMPDH1MAPTGAATSHR
SCHEMBL6753659 0.80 MAPT (0.53) IMPDH2IMPDH1MAPTGAATSHR
SCHEMBL6747997 0.80 IMPDH2 (0.42) IMPDH2IMPDH1MAPTGAATSHR
SCHEMBL10915716 0.79 IMPDH2 (0.59) IMPDH2IMPDH1MAPTGAATSHR
SCHEMBL3411035 0.79 IMPDH2 (0.58) IMPDH2IMPDH1MAPTGAATSHR
SCHEMBL311721 0.78 MAPT (0.53) IMPDH2IMPDH1MAPTGAATSHR
SCHEMBL29764084 0.78 MAPT (0.53) IMPDH2IMPDH1MAPTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745456-B2 Synthesis and antimicrobial activity of novel dicationic “reversed amidines” THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-06-29 US disclosed
US-7745456-B2 Synthesis and antimicrobial activity of novel dicationic “reversed amidines” THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-06-29 US disclosed
US-7410989-B2 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-08-12 US disclosed
US-7410999-B2 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection UNIVERSITY OF NORTH CAROLINIA AT CHAPEL HILL (US) 2008-08-12 US disclosed
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' The University of North Carolina at Chapel Hill: 2008-03-06 US disclosed
EP-1399163-B1 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION UNIV NORTH CAROLINA (US) 2007-10-10 EP disclosed
EP-1837024-A2 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-09-26 EP disclosed
US-7241795-B2 Synthesis and antimicrobial activity of novel dicationic “reversed amidines” THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-07-10 US disclosed
US-7241795-B2 Synthesis and antimicrobial activity of novel dicationic “reversed amidines” THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-07-10 US disclosed
US-20070072878-A1 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-29 US disclosed
US-6737440-B2 2,5-BIS ((ALKYL (OR ARYL) IMINO) AMINOPHENYL) FURANS, THIOPHENES OR PYRROLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-05-18 US disclosed
EP-1399163-A2 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-03-24 EP disclosed
US-6706754-B2 ANTIPROTOZOA AGENTS, PARASITICIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-03-16 US disclosed
US-20030199521-A1 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-23 US disclosed
EP-1337510-A2 SYNTHESIS AND ANTIMICROBIAL ACTIVITYOF NOVEL DICATIONIC \"REVERSED AMIDINES\ UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2003-08-27 EP disclosed
US-20030083362-A1 Synthesis and antimicrobial activity of novel dicationic\"reversed amidines\ GEORGIA STATE UNIVERSITY 2003-05-01 US disclosed
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARMY, UNITED STATES 2002-10-24 US disclosed
WO-2002057224-A2 SYNTHESIS AND ANTIMICROBIAL ACTIVITYOF NOVEL DICATIONIC 'REVERSED AMIDINES' UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-07-25 WO disclosed
WO-2002055025-A2 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION UNIV NORTH CAROLINA (US) 2002-07-18 WO disclosed
WO-2002036588-A2 REVERSED AMIDINES AND METHODS OF USING FOR TREATING, PREVENTING, OR INHIBITING LEISHMANIASIS U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-05-10 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 (5 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-20030199521-A1 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection OAT, GYS2, HCCS IMPDH2 1034/4885IMPDH1 738/4885MAPT 1442/4885
US-20030083362-A1 Synthesis and antimicrobial activity of novel dicationic\"reversed amidines\ HRH4, TLR7, DDAH1 IMPDH2 1053/4885IMPDH1 798/4885MAPT 4854/4885
US-20070072878-A1 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection OAT, GYS2, HCCS IMPDH2 1034/4885IMPDH1 738/4885MAPT 1442/4885
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' TLR7, DHRS9, TLR8 IMPDH2 2630/4885IMPDH1 2176/4885MAPT 4844/4885
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARG1, NAT1, CTSA IMPDH2 2217/4885IMPDH1 1643/4885MAPT 4882/4885

“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.