SCHEMBL562260

SCHEMBL562260

NC(N)=Nc1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
NPC1 O15118 3/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL1259018 0.78 FLT3 (0.55) FLT3KDM4ENPC1TSHRRAB9A
SCHEMBL14697329 0.77 KDM4E (0.47) FLT3LOXL2KDM4EMGLLHSD17B10
SCHEMBL5057117 0.74 CYP2A6 (0.53) FLT3LOXL2KDM4EMGLLHSD17B10
SCHEMBL1656932 0.69 CYP2A6 (0.44) FLT3LOXL2KDM4EMGLLHSD17B10
SCHEMBL9036959 0.69 LOXL2 (0.44) FLT3LOXL2KDM4EMGLLHSD17B10
SCHEMBL366591 0.69 CYP2A6 (0.44) FLT3LOXL2KDM4EMGLLHSD17B10
SCHEMBL7706872 0.69 FLT3 (0.58) FLT3NPC1TSHRRAB9AMEN1
SCHEMBL563143 0.68 FLT3 (0.62) FLT3LOXL2KDM4EMGLLHSD17B10
SCHEMBL649402 0.68 FLT3 (0.74) FLT3TDP1NPC1TSHRRAB9A
SCHEMBL29496924 0.68 FLT3 (0.74) FLT3TDP1NPC1TSHRRAB9A

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-8691859-B2 Broad spectrum antibacterial compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2014-04-08 US claimed
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins BAVARI SINA 2011-04-14 US claimed
EP-1945209-A2 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS United States Government As Represented By The Secretary of The United States Army And The U.S. Army Medical Research & Materiel Command (US) 2008-07-23 EP claimed
WO-2008041966-A2 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U.S. ARMY MEDICAL RESEARCH & MATERIEL COMMAND (US) 2008-04-10 WO claimed
US-20070112048-A1 Broad Spectrum Antibacterial Compounds U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2007-05-17 US claimed
US-20070112049-A1 nonpeptidic inhibitors of Botulinum neurotoxin A metalloprotease activity, such as 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide, used for treating, inhibiting or preventing intoxication caused by bacteria ARMY, UNITED STATES 2007-05-17 US claimed
EP-1945209-B1 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS US GOV AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U S ARMY MEDICAL RESEARCH (US) 2018-05-30 EP disclosed
US-8691859-B2 Broad spectrum antibacterial compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2014-04-08 US disclosed
EP-2207801-B1 METHODS OF INHIBITING VIRAL INFECTION FUNCTIONAL GENETICS INC (US) 2013-04-17 EP disclosed
US-8207209-B2 Methods of inhibiting viral infection FUNCTIONAL GENETICS, INC. (US) 2012-06-26 US disclosed
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof AMAN MOHAMMAD JAVAD (US) 2012-02-09 US disclosed
US-7999001-B2 Antiviral compounds and methods of using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-08-16 US disclosed
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins BAVARI SINA 2011-04-14 US disclosed
WO-2009055524-A1 METHODS OF INHIBITING VIRAL INFECTION FUNCTIONAL GENETICS, INC. (US) 2009-04-30 WO disclosed
US-20090012107-A1 Antiviral Compounds and Methods of Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-01-08 US disclosed
WO-2008089125-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USING THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF THE U.S. ARMY RESEARCH INSTITUTE OF INFECTIOUS DISEASES (US) 2008-07-24 WO disclosed
EP-1945209-A2 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS United States Government As Represented By The Secretary of The United States Army And The U.S. Army Medical Research & Materiel Command (US) 2008-07-23 EP disclosed
WO-2008041966-A2 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U.S. ARMY MEDICAL RESEARCH & MATERIEL COMMAND (US) 2008-04-10 WO disclosed
US-20070112048-A1 Broad Spectrum Antibacterial Compounds U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2007-05-17 US disclosed
US-20070112049-A1 nonpeptidic inhibitors of Botulinum neurotoxin A metalloprotease activity, such as 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide, used for treating, inhibiting or preventing intoxication caused by bacteria ARMY, UNITED STATES 2007-05-17 US 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-20090012107-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L FLT3 2411/4885LOXL2 907/4885KDM4E 2193/4885
US-20070112048-A1 Broad Spectrum Antibacterial Compounds MPO, CAT, LPO FLT3 4851/4885LOXL2 1079/4885KDM4E 3914/4885
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L FLT3 2411/4885LOXL2 907/4885KDM4E 2193/4885
US-20070112049-A1 nonpeptidic inhibitors of Botulinum neurotoxin A metalloprotease activity, such as 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide, used for treating, inhibiting or preventing intoxication caused by bacteria ACHE, CTRL, MMP2 FLT3 4860/4885LOXL2 794/4885KDM4E 1475/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 FLT3 4875/4885LOXL2 457/4885KDM4E 3261/4885

“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.