SCHEMBL562867

SCHEMBL562867

c1ccc2sc(C3=NCCN3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.53
KDM4E B2RXH2 4/20 0.49
CYP1A2 P05177 3/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 2/20 0.48
ADRA2A P08913 2/20 0.48
HPGD P15428 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 1/20 0.45
PMP22 Q01453 1/20 0.45

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
Hydrochloric Acid SCHEMBL8196151 0.88 NISCH (0.54) NISCHKDM4ECYP1A2ALDH1A1CYP2D6
SCHEMBL12348379 0.74 NISCH (0.55) NISCHLMNA
SCHEMBL20184760 0.74 PRMT1 (0.64) NISCHLMNA
SCHEMBL845603 0.72 APP (0.63)
SCHEMBL29732980 0.72 APP (0.63)
SCHEMBL5802833 0.72 LMNA (0.40) NISCHKDM4ECYP1A2ALDH1A1CYP2D6
SCHEMBL10780313 0.71 TAAR1 (0.55) NISCHKDM4ECYP1A2ALDH1A1CYP2D6
SCHEMBL22930946 0.70 CHRM2 (0.37)
SCHEMBL21664118 0.69 APP (0.44) HSD17B10LMNA
SCHEMBL1307492 0.69 NISCH (0.54) NISCHKDM4ECYP1A2ALDH1A1CYP2D6

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 25 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
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
US-5017584-A Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas STERLING DRUG INC. (US) 1991-05-21 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 NISCH 91/4885KDM4E 2193/4885CYP1A2 4459/4885
US-20070112048-A1 Broad Spectrum Antibacterial Compounds MPO, CAT, LPO NISCH 33/4885KDM4E 3914/4885CYP1A2 1275/4885
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L NISCH 91/4885KDM4E 2193/4885CYP1A2 4459/4885
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 NISCH 181/4885KDM4E 1475/4885CYP1A2 1708/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 NISCH 268/4885KDM4E 3261/4885CYP1A2 1858/4885

“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.