SCHEMBL4230692

SCHEMBL4230692

O=[N+]([O-])C(O)C(=NO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
PRMT1 Q99873 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
VCAM1 P19320 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL27285877 0.76 MEN1 (0.43) MAPK1TDP1MAPTNPSR1L3MBTL1
SCHEMBL6652948 0.75 CES2 (0.50) TDP1L3MBTL1CES2CES1PRMT1
SCHEMBL3259340 0.75 CES2 (0.41) MAPK1CES2CES1PRMT1ALDH1A1
SCHEMBL5691005 0.73 CES2 (0.40) MAPTNPSR1CES2CES1PRMT1
SCHEMBL10629688 0.73 CES2 (0.44) MAPK1CES2CES1PRMT1ALDH1A1
SCHEMBL28133289 0.70 ALDH1A1 (0.39) TDP1MAPTL3MBTL1CES2CES1
SCHEMBL5918159 0.70 MEN1 (0.42) MAPTNPSR1ALDH1A1GAACYP2C19
SCHEMBL8777365 0.68 LMNA (0.52) MAPK1TDP1L3MBTL1CES2CES1
SCHEMBL851397 0.68 LMNA (0.52) MAPK1TDP1L3MBTL1CES2CES1
SCHEMBL8777383 0.68 LMNA (0.52) MAPK1TDP1L3MBTL1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009102437-A 2-HYDROXYACETOPHENONE OXIME DERIVATIVE BAYER AG 2009-05-14 JP disclosed
CN-1179956-C Intermediate for preparing substituted dioxazine 2004-12-15 CN disclosed
EP-0846691-B1 Process for preparation of 3-(1-hydroxyphenyl-1-alkoximinomethyl)dioxazines BAYER CROPSCIENCE AG (DE) 2004-06-30 EP disclosed
US-6437153-B1 O-HYDROXYETHYL-O'-ALKYLBENZOFURANDIONE DIOXIMES REARRANGED IN THE PRESENCE OF A DILENT, AN ACID OR A BASE; FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
US-20020049319-A1 O-hydroxyethyl-o'-alkylbenzofurandione dioximes rearranged in the presence of a dilent, an acid or a base; fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-04-25 US disclosed
CN-1082955-C Process for preparing 3- (1-hydroxyphenyl-1-alkoxyiminomethyl) dioxazines BAYER AG (DE) 2002-04-17 CN disclosed
US-6335454-B1 FUNGICIDE INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2002-01-01 US disclosed
CN-1313283-A Intermediate for preparing substituted dioxazine BAYER AG (DE) 2001-09-19 CN disclosed
US-6093837-A INTERMEDIATES FOR PREPARING COMPOUNDS HAVING FUNGICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-25 US disclosed
US-6005104-A INTERMEDIATES FOR PREPARING COMPOUNDS HAVING FUNGICIDAL PROPERTIES; PREPARED BY REARRANGING O-HYDROXYETHYL-O'-ALKYL-BENZOFURANDIONE DIOXIMES BAYER AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed
CN-1184811-A Process for preparing 3- (1-hydroxyphenyl-1-alkoxyiminomethyl) dioxazines BAYER AG (DE) 1998-06-17 CN disclosed
EP-0846691-A1 Process for preparation of 3-(1-hydroxyphenyl-1-alkoximinomethyl)dioxazines BAYER AG (DE) 1998-06-10 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-20020049319-A1 O-hydroxyethyl-o'-alkylbenzofurandione dioximes rearranged in the presence of a dilent, an acid or a base; fungicides DDT, CYP4Z1, CYP51A1 MAPK1 2165/4885TDP1 546/4885MAPT 4307/4885

“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.