SCHEMBL563033

SCHEMBL563033

N=C(N)c1ccc2cc[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.73
ENPP2 Q13822 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TYR P14679 1/20 0.52
PLG P00747 4/20 0.50
PLAU P00749 4/20 0.50
PRSS1 P07477 3/20 0.50
KLKB1 P03952 1/20 0.50
KLK1 P06870 1/20 0.50
F12 P00748 1/20 0.48
AHR P35869 3/20 0.47
CMA1 P23946 1/20 0.47
TPSAB1 Q15661 2/20 0.46
F10 P00742 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL31656329 1.00 F2 (0.73) F2ENPP2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6786736 0.98 F2 (0.71) F2ENPP2KDM4EALDH1A1HPGD
SCHEMBL563181 0.85 F2 (1.00) F2PLGPLAUPRSS1KLKB1
Hydrochloric Acid SCHEMBL29688574 0.83 F2 (0.52) F2ENPP2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7511443 0.82 F2 (0.51) F2ENPP2KDM4EALDH1A1HPGD
SCHEMBL30201702 0.81 ALDH1A1 (0.70) F2ENPP2KDM4EALDH1A1HPGD
SCHEMBL19608350 0.81 ENPP2 (0.59) F2ENPP2KDM4EALDH1A1HPGD
SCHEMBL50552 0.81 ALDH1A1 (0.70) F2ENPP2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL8915608 0.79 ALDH1A1 (0.68) F2ENPP2KDM4EALDH1A1HPGD
SCHEMBL29566955 0.79 ALDH1A1 (0.68) F2ENPP2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins BAVARI SINA 2011-04-14 US claimed
US-7825154-B2 Small molecule inhibitors of botulinum neurotoxins THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-11-02 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-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 EP claimed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 WO claimed
EP-4615981-A1 SYNTHETIC NUCLEIC ACIDS INCLUDING ASTROCYTE-DIRECTED PROMOTER CONSTRUCTS AND METHODS OF USING THE SAME Eli Lilly and Company (US) 2025-09-17 EP disclosed
WO-2024102961-A1 SYNTHETIC NUCLEIC ACIDS INCLUDING ASTROCYTE-DIRECTED PROMOTER CONSTRUCTS AND METHODS OF USING THE SAME ELI LILLY AND COMPANY (US) 2024-05-16 WO disclosed
EP-4157261-A1 CHROMANOL, QUINONE OR HYDROQUINONE COMPOUNDS FOR TREATMENT OF SEPSIS Sulfateq B.V. (NL) 2023-04-05 EP disclosed
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-02-16 US disclosed
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs U niversity of Virginia Patent Foundation (US) 2021-11-23 US disclosed
US-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHYNKX THERAPEUTICS, LLC 2020-10-01 US disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 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
CN-1312154-C Purine derivatives as kinase inhibitors LILLY CO ELI (US) 2007-04-25 CN disclosed
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 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 (6 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-20200308159-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 F2 731/4885ENPP2 29/4885KDM4E 1614/4885
US-20070112048-A1 Broad Spectrum Antibacterial Compounds MPO, CAT, LPO F2 2171/4885ENPP2 1712/4885KDM4E 3914/4885
US-20230050649-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS SPHK1, SPHK2, S1PR2 F2 731/4885ENPP2 29/4885KDM4E 1614/4885
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 F2 578/4885ENPP2 340/4885KDM4E 1475/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 F2 521/4885ENPP2 279/4885KDM4E 3261/4885
US-11180489-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 F2 731/4885ENPP2 29/4885KDM4E 1614/4885

“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.