SCHEMBL3366366

SCHEMBL3366366

Cc1cc(N)ccc1-c1ccc(-c2ccc(N)cc2C)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
ALDH1A1 P00352 8/20 0.50
PDE10A Q9Y233 1/20 0.45
CASP1 P29466 4/20 0.43
KDM4E B2RXH2 7/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 4/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
NR4A1 P22736 1/20 0.40
PTK2B Q14289 1/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 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
SCHEMBL29777463 0.81 ALDH1A1 (0.65) ALDH1A1PDE10ACASP1KDM4EMAPT
SCHEMBL63910 0.81 ALDH1A1 (0.65) ALDH1A1PDE10ACASP1KDM4EMAPT
SCHEMBL30839745 0.81 ALDH1A1 (0.65) ALDH1A1PDE10ACASP1KDM4EMAPT
SCHEMBL16280579 0.81 ALDH1A1 (0.65) ALDH1A1PDE10ACASP1KDM4EMAPT
Hydrochloric Acid SCHEMBL866171 0.79 ALDH1A1 (0.62) ALDH1A1PDE10ACASP1KDM4EMAPT
SCHEMBL5437682 0.79 ALDH1A1 (0.62) ALDH1A1PDE10ACASP1KDM4EMAPT
Hydrochloric Acid SCHEMBL4651933 0.79 ALDH1A1 (0.62) ALDH1A1PDE10ACASP1KDM4EMAPT
SCHEMBL29883688 0.79 ALDH1A1 (0.62) ALDH1A1PDE10ACASP1KDM4EMAPT
Ammonia Solution, Strong SCHEMBL28188790 0.79 ALDH1A1 (0.62) ALDH1A1PDE10ACASP1KDM4EMAPT
Methane SCHEMBL28036179 0.79 ALDH1A1 (0.62) ALDH1A1PDE10ACASP1KDM4EMAPT

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-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-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 ESR1 2613/4885ALDH1A1 493/4885PDE10A 2632/4885
US-20030083362-A1 Synthesis and antimicrobial activity of novel dicationic\"reversed amidines\ HRH4, TLR7, DDAH1 ESR1 3473/4885ALDH1A1 3348/4885PDE10A 3189/4885
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' TLR7, DHRS9, TLR8 ESR1 763/4885ALDH1A1 4103/4885PDE10A 2727/4885
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARG1, NAT1, CTSA ESR1 4851/4885ALDH1A1 3016/4885PDE10A 2881/4885
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 ESR1 2613/4885ALDH1A1 493/4885PDE10A 2632/4885

“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.