SCHEMBL3364969

SCHEMBL3364969

O=C(Nc1ccc(-c2ccc(-c3ccc(NC(=O)c4ccccc4)cc3)o2)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.73
PTPN11 Q06124 1/20 0.72
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
PKM P14618 1/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SIRT1 Q96EB6 1/20 0.61
POLB P06746 1/20 0.61
PGR P06401 1/20 0.60
HPGD P15428 1/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
DEGS1 O15121 1/20 0.58
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CACNA1B Q00975 1/20 0.57

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
SCHEMBL5504372 0.89 PTPN1 (0.76) PTPN1PTPN11NPC1RAB9AKDM4E
SCHEMBL18085798 0.85 PTPN1 (1.00) PTPN1NPC1RAB9AKDM4EMEN1
SCHEMBL14985198 0.84 PTPN1 (0.73) PTPN1PTPN11NPC1RAB9AKDM4E
SCHEMBL14160276 0.83 PTPN1 (0.96) PTPN1NPC1RAB9AKDM4EMEN1
SCHEMBL10136221 0.83 PTPN1 (0.96) PTPN1NPC1RAB9AKDM4EMEN1
SCHEMBL3364955 0.83 NPC1 (0.71) PTPN1PTPN11NPC1RAB9AKDM4E
SCHEMBL126415 0.83 PTPN1 (0.87) PTPN1NPC1RAB9AKDM4EMEN1
SCHEMBL13716704 0.82 PTPN1 (0.67) PTPN1PTPN11NPC1RAB9AKDM4E
SCHEMBL14715824 0.81 NPC1 (0.88) PTPN1NPC1RAB9AKDM4EMEN1
SCHEMBL18103163 0.81 NPC1 (0.88) PTPN1NPC1RAB9AKDM4EMEN1

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 11 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-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-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-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
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 (4 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-20030083362-A1 Synthesis and antimicrobial activity of novel dicationic\"reversed amidines\ HRH4, TLR7, DDAH1 PTPN1 2896/4885PTPN11 2308/4885NPC1 2269/4885
US-20040235927-A1 Synthesis and antimicrobial activity of novel dicationic \"reversed amidines\ HRH4, HDHD5, MRPS7 PTPN1 3126/4885PTPN11 2575/4885NPC1 1459/4885
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' TLR7, DHRS9, TLR8 PTPN1 2410/4885PTPN11 1558/4885NPC1 3601/4885
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARG1, NAT1, CTSA PTPN1 2392/4885PTPN11 3289/4885NPC1 203/4885

“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.