SCHEMBL1444768

SCHEMBL1444768

CC(NO)c1cc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
CYP1A2 P05177 2/20 0.51
PTGES O14684 1/20 0.51
LMNA P02545 1/20 0.51
LTA4H P09960 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
ALOX5AP P20292 1/20 0.51
LOX P28300 1/20 0.51
EPHX2 P34913 1/20 0.51
PTGS2 P35354 1/20 0.51
LTB4R Q15722 1/20 0.51
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 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
SCHEMBL8875123 1.00 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL8876780 1.00 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL13619726 0.84 ALOX5 (0.49) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1809436 0.81 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1444769 0.79 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9502722 0.79 ALOX5 (0.59) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL79534 0.79 ALOX5 (0.54) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9601261 0.78 MEN1 (0.38) HDAC6
SCHEMBL9824749 0.76 ALOX5 (0.53) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL4361286 0.76 ALOX5 (0.51) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0708753-A4 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORP (US) 1996-10-02 EP claimed
EP-0708753-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP claimed
WO-1995002574-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO claimed
WO-2020035729-A1 TOPICAL OLEAGINOUS COMPOSITIONS DR. REDDY'S LABORATORIES LTD. (IN) 2020-02-20 WO disclosed
US-9670176-B2 Process for the preparation of zileuton STRIDES SHASUN LIMITED (IN) 2017-06-06 US disclosed
US-9670176-B2 Process for the preparation of zileuton STRIDES SHASUN LIMITED (IN) 2017-06-06 US disclosed
US-20160376251-A1 Process for the Preparation of Zileuton STRIDES SHASUN LIMITED (IN) 2016-12-29 US disclosed
US-8933250-B2 Process for the preparation of N-(1-benzo[b]thien-2-ylethyl)-N-hydroxyurea FARMAK, A.S. (CZ) 2015-01-13 US disclosed
US-8933250-B2 Process for the preparation of N-(1-benzo[b]thien-2-ylethyl)-N-hydroxyurea FARMAK, A.S. (CZ) 2015-01-13 US disclosed
US-20110184189-A1 PROCESS FOR THE PREPARATION OF N-(1-BENZO[B]THIEN-2-YLETHYL)-N-HYDROXYUREA FARMAK, A.S. (CZ) 2011-07-28 US disclosed
US-20110184189-A1 PROCESS FOR THE PREPARATION OF N-(1-BENZO[B]THIEN-2-YLETHYL)-N-HYDROXYUREA FARMAK, A.S. (CZ) 2011-07-28 US disclosed
EP-0708753-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP disclosed
WO-1995002574-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 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-4992464-A Bronchodilator, antiinflammatory, antiarthritic, antiallergenic agents ABBOTT LABORATORIES (US) 1991-02-12 US 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-20160376251-A1 Process for the Preparation of Zileuton CYP2B6, UGT1A6, CYP2A6 ALOX5 124/4885CYP1A2 35/4885PTGES 1385/4885
US-20110184189-A1 PROCESS FOR THE PREPARATION OF N-(1-BENZO[B]THIEN-2-YLETHYL)-N-HYDROXYUREA NUDT1, SLC29A1, SLC9A1 ALOX5 2404/4885CYP1A2 614/4885PTGES 1990/4885

“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.