SCHEMBL563160

SCHEMBL563160

c1ccc2oc(C3=NCCN3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 1.00
CYP1A2 P05177 4/20 1.00
ALDH1A1 P00352 3/20 1.00
HSD17B10 Q99714 3/20 1.00
CYP2D6 P10635 2/20 1.00
KDM4E B2RXH2 2/20 1.00
ADRA2A P08913 2/20 1.00
HPGD P15428 2/20 1.00
ADRA2B P18089 1/20 1.00
ADRA2C P18825 1/20 1.00
MAOA P21397 1/20 1.00
MAOB P27338 1/20 1.00
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59

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 SCHEMBL4206556 0.98 NISCH (0.97) NISCHCYP1A2ALDH1A1HSD17B10CYP2D6
SCHEMBL8195760 0.88 NISCH (0.78) NISCHCYP1A2ALDH1A1HSD17B10CYP2D6
SCHEMBL8196401 0.86 NISCH (0.74) NISCHCYP1A2ALDH1A1HSD17B10CYP2D6
SCHEMBL8320468 0.83 NISCH (0.69) NISCHCYP1A2ALDH1A1HSD17B10CYP2D6
SCHEMBL6820930 0.83 NISCH (0.70) NISCHCYP1A2ALDH1A1HSD17B10CYP2D6
Hydrochloric Acid SCHEMBL7735685 0.82 NISCH (0.68) NISCHCYP1A2ALDH1A1HSD17B10CYP2D6
SCHEMBL6824262 0.76 PRMT1 (0.61) NISCHCYP1A2ALDH1A1HSD17B10CYP2D6
SCHEMBL6820853 0.76 PRMT1 (0.61) NISCHCYP1A2ALDH1A1HSD17B10CYP2D6
SCHEMBL6824770 0.76 NISCH (0.60) NISCHCYP1A2ALDH1A1HSD17B10CYP2D6
Hydrochloric Acid SCHEMBL7736303 0.75 NISCH (0.58) NISCHCYP1A2ALDH1A1HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104473932-B Treat the pharmaceutical composition of inflammation of the central nervous system demyelinating disease and its purposes of administering drug combinations 温州医科大学附属第医院 2017-06-20 CN claimed
CN-104473932-A Pharmaceutical composition for treating central nervous system inflammatory demyelinating diseases and application of pharmaceutical composition in combined administration FIRST AFFILIATED HOSPITAL WENZHOU MEDICAL UNIV 2015-04-01 CN claimed
CN-104069102-A Application of 2-(2-benzofuran group)-2-imidazolidine in preparing medicine for regulating interleukin-17 ZHENG RONGYUAN 2014-10-01 CN claimed
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
JP-4728257-B2 2011-07-20 JP 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-20080027140-A1 Combinations of Serotonin Reuptake Inhibitors and Imidazoline I 2 Agonists MERCK PATENT GMBH (DE) 2008-01-31 US 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-1708754-A2 COMBINATIONS OF SEROTONIN REUPTAKE INHIBITORS AND IMIDAZOLINE-I sb 2 /sb -AGONISTS MERCK PATENT GmbH (DE) 2006-10-11 EP claimed
WO-2005067969-A2 COMBINATIONS OF SEROTONIN REUPTAKE INHIBITORS AND IMIDAZOLINE-I2-AGONISTS MERCK PATENT GMBH (DE) 2005-07-28 WO claimed
EP-4684600-A1 LIGHTING EFFECTS Apple Inc. (US) 2026-01-28 EP disclosed
WO-2024197092-A1 LIGHTING EFFECTS APPLE INC. (US) 2024-09-26 WO disclosed
US-20240091227-A1 Use Of 2-Phenyl-6-(1H-Imidazol-1-YL) Quinazoline For Treating Neurodegenerative Diseases, Preferably Alzheimer's Disease Rottapharm Biotech Srl (IT) 2024-03-21 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
EP-0071368-B1 IMIDAZOLINE DERIVATIVES RECKITT AND COLMAN PRODUCTS LIMITED (GB) 1985-04-17 EP disclosed
US-4411908-A ANTIMIGRAINE, ANTIDEPRESSANTS RECKITT & COLMAN PRODUCTS LIMITED (GB) 1983-10-25 US disclosed
EP-0071368-A1 Imidazoline derivatives RECKITT AND COLMAN PRODUCTS LIMITED (GB) 1983-02-09 EP 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 (3 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-20070112048-A1 Broad Spectrum Antibacterial Compounds MPO, CAT, LPO NISCH 33/4885CYP1A2 1275/4885ALDH1A1 349/4885
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 181/4885CYP1A2 1708/4885ALDH1A1 1028/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 NISCH 268/4885CYP1A2 1858/4885ALDH1A1 1333/4885

“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.