Zileuton

Zileuton

SCHEMBL6335013

CC(c1cc2ccccc2s1)N(O)C(N)=O.[KH]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ALOX5

The experimentally established mechanism targets of Zileuton. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 known ✓ P09917 6/20 0.97
CYP1A2 P05177 2/20 0.97
PTGES O14684 1/20 0.97
LMNA P02545 1/20 0.97
LTA4H P09960 1/20 0.97
GAA P10253 1/20 0.97
ALOX15 P16050 1/20 0.97
ALOX12 P18054 1/20 0.97
ALOX5AP P20292 1/20 0.97
LOX P28300 1/20 0.97
EPHX2 P34913 1/20 0.97
PTGS2 P35354 1/20 0.97
LTB4R Q15722 1/20 0.97

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
Zileuton SCHEMBL4209 0.99 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL6601944 0.99 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL126156 0.99 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL8876686 0.99 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL18251470 0.99 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL9602587 0.97 ALOX5 (0.97) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL28562765 0.97 ALOX5 (0.97) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL20770716 0.93 ALOX5 (0.90) ALOX5CYP1A2PTGESLMNALTA4H
Methylamine SCHEMBL9601432 0.86 ALOX5 (0.77) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL2396905 0.85 ALOX5 (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090455-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS, LLC. 2005-04-28 US disclosed
US-20050043282-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC 2005-02-24 US disclosed
EP-0279263-B1 INDOLE, BENZOFURAN, BENZOTHIOPHENE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-04 EP disclosed
US-4873259-A Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-10-10 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 (2 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-20050090455-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-20050043282-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 237/4885PTGES 64/4885

“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.