SCHEMBL3399526

SCHEMBL3399526

CC(C)(C)OC(=O)N=C(N)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(-c3ccc(N(C(=O)OC(C)(C)C)C(N)=NC(=O)OC(C)(C)C)cc3C(F)(F)F)o2)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.36
NPFFR1 Q9GZQ6 2/20 0.34
NPFFR2 Q9Y5X5 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3367109 0.86 ESR1 (0.35) SLC9A1KDM4E
SCHEMBL3362426 0.85 ESR1 (0.35) SLC9A1SMN1; SMN2
SCHEMBL3363651 0.84 MAPT (0.38) SLC9A1KDM4E
SCHEMBL3365949 0.80 NQO2 (0.36) SLC9A1KDM4ELMNA
SCHEMBL3396674 0.78 SLC9A1 (0.36) SLC9A1
SCHEMBL3778075 0.76 TP53 (0.31)
SCHEMBL17894521 0.74 MIF (0.36)
SCHEMBL3777967 0.74 SCN2A (0.32) KDM4E
SCHEMBL3784231 0.74 MT-CO2 (0.31)
SCHEMBL3785117 0.72 KMT2A (0.34) SMN1; SMN2

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-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
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-20070072877-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-7183286-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) 2007-02-27 US disclosed
US-7163955-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) 2007-01-16 US disclosed
US-20070010533-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 2007-01-11 US disclosed
US-20060063931-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 2006-03-23 US disclosed
US-20040235927-A1 Synthesis and antimicrobial activity of novel dicationic \"reversed amidines\ NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-11-25 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
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
WO-2002057224-A2 SYNTHESIS AND ANTIMICROBIAL ACTIVITYOF NOVEL DICATIONIC 'REVERSED AMIDINES' UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-07-25 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 (8 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 SLC9A1 3290/4885NPFFR1 4469/4885NPFFR2 4743/4885
US-20030083362-A1 Synthesis and antimicrobial activity of novel dicationic\"reversed amidines\ HRH4, TLR7, DDAH1 SLC9A1 1257/4885NPFFR1 1003/4885NPFFR2 1640/4885
US-20040235927-A1 Synthesis and antimicrobial activity of novel dicationic \"reversed amidines\ HRH4, HDHD5, MRPS7 SLC9A1 1155/4885NPFFR1 795/4885NPFFR2 1443/4885
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 SLC9A1 3290/4885NPFFR1 4469/4885NPFFR2 4743/4885
US-20060063931-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 SLC9A1 3290/4885NPFFR1 4469/4885NPFFR2 4743/4885
US-20070010533-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 SLC9A1 3290/4885NPFFR1 4469/4885NPFFR2 4743/4885
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' TLR7, DHRS9, TLR8 SLC9A1 1339/4885NPFFR1 143/4885NPFFR2 359/4885
US-20070072877-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 SLC9A1 3290/4885NPFFR1 4469/4885NPFFR2 4743/4885

“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.