SCHEMBL5484625

SCHEMBL5484625

N#Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.50
TNKS O95271 1/20 0.47
NOTUM Q6P988 2/20 0.45
KIF11 P52732 2/20 0.45
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2A6 P11509 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA14 Q9ULX7 1/20 0.44
AR P10275 2/20 0.44
MAPKAPK2 P49137 4/20 0.43
KCNH2 Q12809 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
CA1 P00915 1/20 0.42
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL3503161 0.98 MMP3 (0.48) MMP3TNKSNOTUMKIF11CA12
SCHEMBL3507065 0.88 MMP3 (0.41) MMP3TNKSNOTUMKIF11AR
SCHEMBL11606898 0.87 MMP3 (0.43) MMP3TNKSNOTUMKIF11CA12
SCHEMBL14046685 0.86 ALDH1A1 (0.43) MMP3TNKSKIF11ALDH1A1CYP2A6
SCHEMBL3504690 0.86 F2 (0.46) MMP3TNKSNOTUMKIF11ALDH1A1
SCHEMBL398823 0.85 MMP3 (0.47) MMP3TNKSNOTUMKIF11CA12
SCHEMBL3506668 0.85 F2 (0.45) MMP3TNKSNOTUMKIF11CA12
SCHEMBL13681351 0.85 ALDH1A1 (0.46) MMP3TNKSNOTUMKIF11ALDH1A1
4-(2,2'-Bifuran-5-Yl)Benzonitrile SCHEMBL3505610 0.83 MYC (0.50) TNKSNOTUMALDH1A1ARMAPKAPK2
SCHEMBL13167125 0.83 TNKS (0.38) MMP3TNKSNOTUMKIF11AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 EP disclosed
EP-1685836-A2 Antifungal activity of dicationic molecules UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-08-02 EP disclosed
US-7071338-B2 such as 2,5-bis[4-hydroxy and 4-O-alkylamidinophenyl]furan compounds, from amidoxime compounds with 2,5-bis-tri-alkylstannannes via one step palladium-catalyzed cross reaction THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-07-04 US disclosed
EP-1565457-A2 PROCESS FOR SYNTHESIS BIS-ARYL DIAMIDOXIME COMPOUNDS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-08-24 EP disclosed
US-20040127721-A1 Process for the synthesis of bis-aryl diamidoxime compounds UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-07-01 US disclosed
WO-2004051217-A2 PROCESS FOR SYNTHESIS BIS-ARYL DIAMIDOXIME COMPOUNDS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-06-17 WO disclosed
US-6649652-B2 Hypotensive agents; hyperglycemic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-11-18 US disclosed
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-15 US disclosed
US-6503940-B2 Aids therapy THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-01-07 US disclosed
US-6486200-B1 Prodrugs for antimicrobial amidines THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-11-26 US disclosed
EP-1143959-A2 ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-10-17 EP disclosed
WO-2001003685-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-01-18 WO disclosed
WO-2000015212-A2 ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-03-23 WO disclosed
US-5935776-A 2,5-BIS(4-(3-N,N,-DIMETHYLAMINOPROPYLAMIDINO)PHENYL)FURAN OR PHARMACEUTICALLY ACCEPTABLE SALT AND DILUENT OR CARRIER AS VIRICIDE TO SUPPRESS BINDING OF REV PROTEIN TO MESSENGER RNAS THUS SUPPRESSING REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1999-08-10 US disclosed
US-5723288-A Method of fluorescent detection of nucleic acids and cytoskeleton elements using bis-dicationic aryl furans, and kits useful therefor THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-03-03 US disclosed
US-5667975-A Method of fluorescent detection of nucleic acids and cytoskeleton elements using bis-dicationic aryl furans THE UNIVERSITY OF NORTH CAROLINA 1997-09-16 US disclosed
EP-0792271-A1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1997-09-03 EP disclosed
US-5602172-A USING A 2,5-DIPHENYLFURAN COMPOUND THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-11 US disclosed
US-5594138-A MEDICAL DIAGNOSIS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-01-14 US disclosed
WO-1996015126-A1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1996-05-23 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-20040127721-A1 Process for the synthesis of bis-aryl diamidoxime compounds DDT, DAO, DDO MMP3 3430/4885TNKS 2093/4885NOTUM 1897/4885
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 MMP3 1068/4885TNKS 3004/4885NOTUM 1619/4885

“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.