Sugi Predict

Sugi Predict / Compounds / SCHEMBL3363853

SCHEMBL3363853

SCHEMBL3363853

Cc1cc([N+](=O)[O-])cc(C)c1-c1ccc(-c2c(C)cc([N+](=O)[O-])cc2C)o1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.52
▸ TSHR P16473 5/20 0.52
▸ TDP1 Q9NUW8 5/20 0.52
▸ CYP3A4 P08684 2/20 0.48
▸ GPR35 Q9HC97 1/20 0.46
▸ ACHE P22303 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP19A1 P11511 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 6/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ NQO2 P16083 1/20 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
SCHEMBL6751572 0.79 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL11741507 0.78 TDP1 (0.47) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL3363633 0.78 ALDH1A1 (0.58) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL2105183 0.72 TSHR (0.61) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL5484191 0.70 ALDH1A1 (0.45) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL8440730 0.70 TSHR (0.58) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL6378439 0.70 TSHR (0.58) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL14877163 0.69 ERN1 (0.50) ALDH1A1TSHRTDP1CYP3A4GPR35
SCHEMBL28679259 0.69 MAPT (0.50) ALDH1A1TSHRTDP1CYP3A4ACHE
SCHEMBL76981 0.69 TSHR (0.56) ALDH1A1TSHRTDP1CYP3A4GPR35

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
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-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-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-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' The University of North Carolina at Chapel Hill: 2008-03-06 — — 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-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-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-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-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 (7 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 ALDH1A1 493/4885TSHR 4135/4885TDP1 3743/4885
US-20030083362-A1 Synthesis and antimicrobial activity of novel dicationic\"reversed amidines\ HRH4, TLR7, DDAH1 ALDH1A1 3348/4885TSHR 389/4885TDP1 3255/4885
US-20040235927-A1 Synthesis and antimicrobial activity of novel dicationic \"reversed amidines\ HRH4, HDHD5, MRPS7 ALDH1A1 3425/4885TSHR 409/4885TDP1 3472/4885
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 ALDH1A1 493/4885TSHR 4135/4885TDP1 3743/4885
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 ALDH1A1 493/4885TSHR 4135/4885TDP1 3743/4885
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' TLR7, DHRS9, TLR8 ALDH1A1 4103/4885TSHR 17/4885TDP1 3590/4885
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARG1, NAT1, CTSA ALDH1A1 3016/4885TSHR 1975/4885TDP1 1890/4885

“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.