SCHEMBL436458

SCHEMBL436458

NC(=O)N(O)CCc1cc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.51
ASIC3 Q9UHC3 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.51
ALOX5 P09917 5/20 0.49
CYP1A2 P05177 2/20 0.49
PTGES O14684 1/20 0.49
LMNA P02545 1/20 0.49
LTA4H P09960 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
ALOX5AP P20292 1/20 0.49
LOX P28300 1/20 0.49
EPHX2 P34913 1/20 0.49
PTGS2 P35354 1/20 0.49
LTB4R Q15722 1/20 0.49
AGXT P21549 1/20 0.47
ADRB2 P07550 1/20 0.44
SLC9A1 P19634 1/20 0.43
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL1445507 0.86 CYP2A6 (0.53) CYP2A6ASIC3LOXL2ALOX5PTGES
SCHEMBL6344125 0.85 CYP2A6 (0.51) CYP2A6ASIC3LOXL2ALOX5CYP1A2
SCHEMBL2396391 0.84 CYP2A6 (0.54) CYP2A6ASIC3LOXL2ALOX5CYP1A2
Ammonia Solution, Strong SCHEMBL6237737 0.84 CYP2A6 (0.50) CYP2A6ASIC3LOXL2ALOX5CYP1A2
SCHEMBL6237741 0.82 CYP2A6 (0.49) CYP2A6ASIC3LOXL2ALOX5CYP1A2
SCHEMBL9542499 0.82 AGXT (0.52) CYP2A6ASIC3LOXL2ALOX5CYP1A2
SCHEMBL1444257 0.79 CYP2A6 (0.45) CYP2A6ASIC3LOXL2ALOX5AGXT
SCHEMBL1444702 0.79 CYP2A6 (0.45) CYP2A6ASIC3LOXL2ALOX5CYP1A2
Tetrylammonium SCHEMBL6237150 0.78 CYP2A6 (0.44) CYP2A6ASIC3LOXL2ALOX5CYP1A2
SCHEMBL4847281 0.77 CYP2A6 (0.56) CYP2A6ASIC3LOXL2AGXTADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782448-B2 Methods and compositions for treating skin ELC MANAGEMENT LLC (US) 2017-10-10 US claimed
US-20140161898-A1 Methods and Compositions for Treating Skin ELC MANAGEMENT, LLC (US) 2014-06-12 US claimed
US-8535738-B2 Methods and compositions for treating skin ELC MANAGEMENT, LLC (US) 2013-09-17 US claimed
WO-2010124283-A2 METHODS AND COMPOSITIONS RELATING TO HEMATOLOGIC MALIGNANCIES THE JACKSON LABORATORY (US) 2010-10-28 WO claimed
WO-2010012246-A1 A PROCESS FOR THE PREPARATION OF N-(1-BENZO[B]THIEN-2-YLETHYL)-N-HYDROXYUREA FARMAK, A.S. (CZ) 2010-02-04 WO claimed
EP-1954245-A2 COMPOSITIONS OF LIPOXYGENASE INHIBITORS Baxter International Inc. (US) 2008-08-13 EP claimed
WO-2007059515-A2 COMPOSITIONS OF LIPOXYGENASE INHIBITORS BAXTER INTERNATIONAL, INC. (US) 2007-05-24 WO claimed
EP-0543855-A1 USE OF ARYL HYDROXYUREA COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS THE WELLCOME FOUNDATION LIMITED (GB) 1993-06-02 EP claimed
EP-0477289-A4 ANHYDROUS OIL-BASED LIQUID SUSPENSION FOR DELIVERING A MEDICAMENT 1992-07-22 EP claimed
EP-0477289-A1 ANHYDROUS OIL-BASED LIQUID SUSPENSION FOR DELIVERING A MEDICAMENT ABBOTT LABORATORIES (US) 1992-04-01 EP claimed
WO-1992003130-A1 USE OF ARYL HYDROXYUREA COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-05 WO claimed
WO-1991008734-A1 ANHYDROUS OIL-BASED LIQUID SUSPENSION FOR DELIVERING A MEDICAMENT ABBOTT LABORATORIES (US) 1991-06-27 WO claimed
WO-2024044654-A2 PARENTERAL COMPOSITIONS OF ZILEUTON AND METHODS OF USE UNIVERSITY OF HOUSTON SYSTEM (US) 2024-02-29 WO disclosed
US-20210369669-A1 AUTOPHAGY ACTIVATORS AND INHIBITORS OF FERROPTOSIS FOR PREVENTING ACUTE RENAL FAILURE AND NEUROTOXCITY INDUCED BY CERTAIN ANTIBIOTICS SYSTAMEDIC INC. (US) 2021-12-02 US disclosed
EP-3849588-A1 COVERSIN FOR USE IN THE TREATMENT OF RHEUMATIC DISEASES Volution Immuno Pharmaceuticals SA (CH) 2021-07-21 EP disclosed
EP-3292117-B1 PYRIDAZINE DERIVATIVES AS RORC MODULATORS HOFFMANN LA ROCHE (CH) 2020-08-12 EP disclosed
WO-1992003130-A1 USE OF ARYL HYDROXYUREA COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-05 WO disclosed
WO-1991008734-A1 ANHYDROUS OIL-BASED LIQUID SUSPENSION FOR DELIVERING A MEDICAMENT ABBOTT LABORATORIES (US) 1991-06-27 WO disclosed
EP-0416609-A2 Benzo[b]thiophene-containing lipoxygenase-inhibiting compounds ABBOTT LABORATORIES (US) 1991-03-13 EP 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 (1 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-20140161898-A1 Methods and Compositions for Treating Skin LTB4R2, LTB4R, CYSLTR2 CYP2A6 2601/4885ASIC3 1017/4885LOXL2 105/4885

“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.