SCHEMBL2155097

SCHEMBL2155097

O=C(NO)C(=NO)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ALOX15 P16050 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
KDM4E B2RXH2 2/20 0.47
CES1 P23141 3/20 0.41

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
SCHEMBL2155092 1.00 GAA (0.59) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL2153879 0.82 GAA (0.62) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL2153882 0.82 GAA (0.62) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL1694126 0.82 GAA (0.57) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL1694122 0.82 GAA (0.57) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL12071044 0.82 GAA (0.57) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL2153881 0.80 HDAC1 (0.53) GAASMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL2153886 0.80 HDAC1 (0.53) GAASMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL4449252 0.79 GAA (0.53) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL11461735 0.78 GAA (0.68) GAACYP2C19SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105399666-A Fungicide hydroxyimino-heterocyclic derivatives BAYER CROSPSCIENCE AG 2016-03-16 CN claimed
US-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-02-14 US claimed
EP-2519502-A2 FUNGICIDAL HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2012-11-07 EP claimed
CN-102725270-A Fungicide hydroxyimino-heterocyclic derivatives BAYER CROPSCIENCE AG 2012-10-10 CN claimed
WO-2011080254-A2 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-07-07 WO claimed
CN-108355709-A Purposes of the Bismuth triflate as Beckmann rearrangement catalyst 嘉兴学院 2018-08-03 CN disclosed
CN-105399666-A Fungicide hydroxyimino-heterocyclic derivatives BAYER CROSPSCIENCE AG 2016-03-16 CN disclosed
CN-102725270-B Fungicide hydroxyimino-heterocyclic derivatives BAYER CROPSCIENCE AG (DE) 2015-10-07 CN disclosed
US-9000012-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-04-07 US disclosed
US-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-02-14 US disclosed
EP-2519502-A2 FUNGICIDAL HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2012-11-07 EP disclosed
CN-102725270-A Fungicide hydroxyimino-heterocyclic derivatives BAYER CROPSCIENCE AG 2012-10-10 CN disclosed
WO-2011080254-A2 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-07-07 WO 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-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 GAA 785/4885CYP2C19 148/4885SMN1; SMN2 4286/4885

“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.