SCHEMBL983449

SCHEMBL983449

O=C1Cc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
TDP2 O95551 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.45
RAB9A P51151 1/20 0.45
TLR9 Q9NR96 1/20 0.45
PTPRC P08575 1/20 0.42
S100A4 P26447 1/20 0.42
ADRA2A P08913 1/20 0.41
PNMT P11086 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA9 Q16790 3/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL13279705 0.86 TDP2 (0.46) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL6747491 0.85 MEN1 (0.50) MEN1KMT2AMAPTTDP2ALDH1A1
Valeric Acid SCHEMBL27511706 0.83 CYSLTR2 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4228822 0.81 MEN1 (0.50) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL15489040 0.81 PTPRC (0.53) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL9484984 0.80 MAPT (0.63) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL1308430 0.80 ALDH1A1 (0.60) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL16736955 0.77 MEN1 (0.44) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL11576199 0.77 MAPT (0.56) MEN1KMT2AMAPTTDP2ALDH1A1
SCHEMBL14169575 0.77 KDM1A (0.46) MEN1KMT2AMAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39755-E1 3-(1-hydroxy-pentylidene)-5-nitro-3H-benzofuran-2-one a process for the preparation thereof and the use thereof CLARIANT FRANCE (FR) 2007-07-31 US claimed
CN-1204133-C 3-(1-hydroxy-amylene)-5-nitro-3H-benzfuran-2-one, its prepn. method and use CLARIANT FRANCE SA (FR) 2005-06-01 CN claimed
EP-1116719-B1 3-(1-Hydroxy-pentylidene)-5-nitro-3H-benzofuran-2-one, a process for the preparation thereof and the use thereof CLARIANT FRANCE SA (FR) 2005-04-06 EP claimed
US-6515147-B2 Chemical intermediates for 2-butyl-5-nitrobenzofuran CLARIANT FRANCE S.A. (FR) 2003-02-04 US claimed
US-20010012900-A1 3-(1-hydroxy-pentylidene)-5-nitro-3H-benzofuran-2-one a process for the preparation thereof and the use thereof CLARIANT (FRANCE) 2001-08-09 US claimed
CN-1306000-A 3-(1-hydroxy-amylene)-5-nitro-3h-benzfuran-2-one, its prepn. method and use CLARIANT FRANCE SA (FR) 2001-08-01 CN claimed
EP-1116719-A2 3-(1-Hydroxy-pentylidene)-5-nitro-3H-benzofuran-2-one, a process for the preparation thereof and the use thereof Clariant (France) S.A. (FR) 2001-07-18 EP claimed
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-06-29 US disclosed
US-9512097-B2 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-12-06 US disclosed
US-9512097-B2 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-12-06 US disclosed
WO-2012062918-A1 PROCESS FOR THE PREPARATION OF 3-AROYL-5-AMINOBENZOFURAN DERIVATIVES LEK PHARMACEUTICALS D.D. (SI) 2012-05-18 WO disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN FINORGA 2011-01-13 US disclosed
CN-1306000-A 3-(1-hydroxy-amylene)-5-nitro-3h-benzfuran-2-one, its prepn. method and use CLARIANT FRANCE SA (FR) 2001-08-01 CN disclosed
EP-1116719-A2 3-(1-Hydroxy-pentylidene)-5-nitro-3H-benzofuran-2-one, a process for the preparation thereof and the use thereof Clariant (France) S.A. (FR) 2001-07-18 EP disclosed
EP-1066039-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF Cocensys, Inc. (US) 2001-01-10 EP disclosed
WO-1999044612-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS, INC. (US) 1999-09-10 WO disclosed
EP-0248213-B1 HYDROXYPHENYL- AND HYDROXYPHENOXYALKANOIC ACID IODOPROPARGYL ESTERS THE DOW CHEMICAL COMPANY (US) 1991-10-30 EP disclosed
US-4731466-A FUNGICIDES THE DOW CHEMICAL COMPANY (US) 1988-03-15 US disclosed
EP-0248213-A2 Hydroxyphenyl- and hydroxyphenoxyalkanoic acid iodopropargyl esters THE DOW CHEMICAL COMPANY (US) 1987-12-09 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 (4 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-20010012900-A1 3-(1-hydroxy-pentylidene)-5-nitro-3H-benzofuran-2-one a process for the preparation thereof and the use thereof CYP2F1, CYP4F11, CYP1B1 MEN1 1831/4885KMT2A 1913/4885MAPT 221/4885
US-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN CYP8B1, NISCH, CBR3 MEN1 4245/4885KMT2A 3066/4885MAPT 4201/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 MEN1 4883/4885KMT2A 1389/4885MAPT 3595/4885
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 MEN1 4313/4885KMT2A 2633/4885MAPT 3812/4885

“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.