SCHEMBL980916

SCHEMBL980916

CCCCC1Oc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTPRC P08575 3/20 0.41
S100A4 P26447 2/20 0.41
GAA P10253 1/20 0.40
ESPL1 Q14674 1/20 0.39
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD1 P21728 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL5695144 0.89 ALDH1A1 (0.44) MAOBALDH1A1MEN1KMT2APTPRC
SCHEMBL29634280 0.81 KDM4E (0.44) MAOBALDH1A1MEN1KMT2ANPC1
SCHEMBL28523595 0.81 KDM4E (0.44) MAOBALDH1A1MEN1KMT2ANPC1
SCHEMBL6736201 0.80 MAOB (0.63) MAOBALDH1A1ACHE
SCHEMBL14707700 0.79 NR3C1 (0.50) MAOBKMT2ARAB9AGAAMAPT
SCHEMBL28524800 0.77 KDM4E (0.43) MAOBALDH1A1MEN1KMT2ANPC1
SCHEMBL29634193 0.77 KDM4E (0.43) MAOBALDH1A1MEN1KMT2ANPC1
SCHEMBL6739190 0.75 MAOB (0.59) MAOB
SCHEMBL6737854 0.75 MAOB (0.59) MAOB
SCHEMBL28525296 0.75 KDM4E (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1394155-B1 Process for the preparation of 5-Nitrobenzofurans LANXESS DEUTSCHLAND GMBH (DE) 2006-06-28 EP claimed
US-20050288519-A1 5-Nitrobenzofurans MAGERLEIN WOLFGANG 2005-12-29 US claimed
EP-1394155-A2 5-Nitrobenzofuranes Bayer Chemicals AG (DE) 2004-03-03 EP claimed
US-20040034220-A1 5-Nitrobenzofurans LANXESS DEUTSCHLAND GMBH (DE) 2004-02-19 US claimed
CN-102070577-B 2-normal-butyl-3-(4-replaces propoxy-benzoyl)-5-substituted-amino cumarone and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-03-09 CN disclosed
CN-102070577-A 2-n-butyl-3-(4-subsitituted propylbenzoyl)-5-substituted amino benzofuran and application thereof SHANGHAI INST PHARM INDUSTRY 2011-05-25 CN disclosed
US-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN FINORGA 2011-01-13 US disclosed
CN-101687764-A Method for preparing 2-(n-butyl)-5-nitrobenzofuran FINORGA 2010-03-31 CN disclosed
EP-2144866-A1 METHOD FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN Finorga (FR) 2010-01-20 EP disclosed
WO-2008152217-A2 PROCESS FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN FINORGA (FR) 2008-12-18 WO disclosed
WO-2008139056-A1 METHOD FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN FINORGA (FR) 2008-11-20 WO disclosed
EP-1394155-B1 Process for the preparation of 5-Nitrobenzofurans LANXESS DEUTSCHLAND GMBH (DE) 2006-06-28 EP disclosed
US-6984741-B2 5-Nitrobenzofurans BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
US-20050288519-A1 5-Nitrobenzofurans MAGERLEIN WOLFGANG 2005-12-29 US disclosed
CN-1485323-A 5-nitrobenzofurans 2004-03-31 CN disclosed
EP-1394155-A2 5-Nitrobenzofuranes Bayer Chemicals AG (DE) 2004-03-03 EP disclosed
US-20040034220-A1 5-Nitrobenzofurans LANXESS DEUTSCHLAND GMBH (DE) 2004-02-19 US 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-20050288519-A1 5-Nitrobenzofurans NOX5, NQO1, NDUFS5 MAOB 119/4885ALDH1A1 233/4885MEN1 3582/4885
US-20040034220-A1 5-Nitrobenzofurans NOX5, NQO1, NDUFS5 MAOB 119/4885ALDH1A1 233/4885MEN1 3582/4885
US-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN CYP8B1, NISCH, CBR3 MAOB 110/4885ALDH1A1 903/4885MEN1 4245/4885

“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.