SCHEMBL2396906

SCHEMBL2396906

CC(=O)N(O)C(C)c1cc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.76
CYP1A2 P05177 2/20 0.76
PTGES O14684 1/20 0.76
LMNA P02545 1/20 0.76
LTA4H P09960 1/20 0.76
GAA P10253 1/20 0.76
ALOX15 P16050 1/20 0.76
ALOX12 P18054 1/20 0.76
ALOX5AP P20292 1/20 0.76
LOX P28300 1/20 0.76
EPHX2 P34913 1/20 0.76
PTGS2 P35354 1/20 0.76
LTB4R Q15722 1/20 0.76

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
SCHEMBL15502039 1.00 ALOX5 (0.76) ALOX5CYP1A2PTGESLMNALTA4H
Ammonia Solution, Strong SCHEMBL6388069 0.98 ALOX5 (0.74) ALOX5CYP1A2PTGESLMNALTA4H
Ammonia Solution, Strong SCHEMBL2393143 0.98 ALOX5 (0.74) ALOX5CYP1A2PTGESLMNALTA4H
Methylamine SCHEMBL9601432 0.97 ALOX5 (0.77) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL2397431 0.92 ALOX5 (0.66) ALOX5CYP1A2PTGESLMNALTA4H
Tetrylammonium SCHEMBL2399019 0.91 ALOX5 (0.64) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1444813 0.88 ALOX5 (0.76) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL4209 0.87 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL8876686 0.87 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL126156 0.87 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363618-B1 PHARMACEUTICAL COMPOSITION FOR TREATING MULTIPLE SCLEROSIS NEU INGO S (DE) 2006-05-03 EP claimed
US-20050020665-A1 Pharmaceutical composition for treating multiple sclerosis NEU INGO (DE) 2005-01-27 US claimed
EP-1363618-A1 PHARMACEUTICAL COMPOSITION FOR TREATING MULTIPLE SCLEROSIS Neu, Ingo, S. (DE) 2003-11-26 EP claimed
WO-2002062332-A1 PHARMACEUTICAL COMPOSITION FOR TREATING MULTIPLE SCLEROSIS NEU INGO S (DE) 2002-08-15 WO claimed
WO-2014115098-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND INFLAMMATION KANDULA MAHESH (IN) 2014-07-31 WO disclosed
US-20140171445-A1 TREATMENT AND PREVENTION OF DISEASES MEDIATED BY MICROORGANISMS VIA DRUG-MEDIATED MANIPULATION OF THE EICOSANOID BALANCE THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-06-19 US disclosed
US-20110209699-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2011-09-01 US disclosed
US-20110209699-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2011-09-01 US disclosed
WO-2011036680-A2 IMPROVED PROCESS FOR THE PREPARATION OF (±)-1-(1-BENZO[B]THIEN-2-YLETHYL)-1-HYDROXYUREA MSN LABORATORIES LIMITED (IN) 2011-03-31 WO disclosed
US-7563790-B2 Pyridazine derivatives MERCK PATENT GMBH (DE) 2009-07-21 US disclosed
US-7544684-B2 Hydrazono-malonitriles MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-7470687-B2 Aryl oximes MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
EP-1363618-A1 PHARMACEUTICAL COMPOSITION FOR TREATING MULTIPLE SCLEROSIS Neu, Ingo, S. (DE) 2003-11-26 EP disclosed
WO-2002062332-A1 PHARMACEUTICAL COMPOSITION FOR TREATING MULTIPLE SCLEROSIS NEU INGO S (DE) 2002-08-15 WO disclosed
US-5250565-A Must incorporate a metabolically cleavable leaving group; pro-drugs; administering to mammals ABBOTT LABORATORIES (US) 1993-10-05 US disclosed
EP-0279263-B1 INDOLE, BENZOFURAN, BENZOTHIOPHENE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-04 EP disclosed
EP-0416609-A2 Benzo[b]thiophene-containing lipoxygenase-inhibiting compounds ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
US-4873259-A Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-10-10 US disclosed
US-4822809-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1989-04-18 US disclosed
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 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-20050020665-A1 Pharmaceutical composition for treating multiple sclerosis NR1H3, NR1H2, NR1H4 ALOX5 1826/4885CYP1A2 1042/4885PTGES 3679/4885
US-20110209699-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE HSD11B2, CYP17A1, ALOX5 ALOX5 3/4885CYP1A2 249/4885PTGES 57/4885
US-20140171445-A1 TREATMENT AND PREVENTION OF DISEASES MEDIATED BY MICROORGANISMS VIA DRUG-MEDIATED MANIPULATION OF THE EICOSANOID BALANCE ALOX5, ALOX15, ALOX15B ALOX5 1/4885CYP1A2 318/4885PTGES 11/4885

“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.