SCHEMBL563350

SCHEMBL563350

c1ccc2oc(-c3ncc[nH]3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 4/20 1.00
▸ ADRA2B P18089 3/20 0.66
▸ ADRA2C P18825 3/20 0.66
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAOB P27338 4/20 0.49
▸ MAOA P21397 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ NISCH Q9Y2I1 2/20 0.49
▸ GRM4 Q14833 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ METAP2 P50579 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ ADK P55263 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
Hydrochloric Acid SCHEMBL30865655 0.98 ADRA2A (0.97) ADRA2AADRA2BADRA2CNPC1RAB9A
Hydrochloric Acid SCHEMBL9295322 0.98 ADRA2A (0.97) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6824874 0.82 ADRA2A (0.68) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL16418296 0.80 ADRA2A (0.69) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL8787263 0.78 ADRA2A (0.64) ADRA2AADRA2BADRA2CNPC1RAB9A
Hydrochloric Acid SCHEMBL9294951 0.78 ADRA2A (1.00) ADRA2AADRA2BADRA2CNPC1RAB9A
Hydrochloric Acid SCHEMBL9327988 0.78 ADRA2A (0.64) ADRA2AADRA2BADRA2CALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9295429 0.78 ADRA2A (0.70) ADRA2AADRA2BADRA2CALDH1A1MEN1
Hydrochloric Acid SCHEMBL9294700 0.76 ADRA2A (0.61) ADRA2AADRA2BADRA2CMAOBALDH1A1
Hydrochloric Acid SCHEMBL9294956 0.75 ADRA2A (0.65) ADRA2AADRA2BADRA2CCA2

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 53 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
US-5354769-A Treatment of anorexia SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1994-10-11 — — US claimed
US-5310930-A Cyclization of the carboximidate salt SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 1994-05-10 — — US claimed
JP-5271223-A — — None — — JP disclosed
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
EP-2264043-B1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS INC (US) 2017-11-08 — — 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
EP-0257171-A1 (Benzofuran-2-yl)imidazoles having pharmaceutical activity, their salts and relevant production processes A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1988-03-02 — — EP disclosed
EP-0257171-A1 (Benzofuran-2-yl)imidazoles having pharmaceutical activity, their salts and relevant production processes A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1988-03-02 — — EP disclosed
US-4452986-A THROMBOXANE A2 SYNTHETASE INHIBITORS THE UPJOHN COMPANY (US) 1984-06-05 — — US disclosed
US-4402968-A Antifungal benzofuranyl imidazole compounds HOFFMANN-LA ROCHE INC. (US) 1983-09-06 — — US disclosed
EP-0069521-A2 Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes THE UPJOHN COMPANY (US) 1983-01-12 — — EP disclosed
US-3927023-A Imidazolyl benzofurans WARNER LAMBERT CO 1975-12-16 — — 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 (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 ADRA2A 4280/4885ADRA2B 4159/4885ADRA2C 3415/4885
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 ADRA2A 2320/4885ADRA2B 2388/4885ADRA2C 2585/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 ADRA2A 2901/4885ADRA2B 2582/4885ADRA2C 3122/4885

“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.

Send feedback