SCHEMBL2153879

SCHEMBL2153879

NNC(=O)/C(=N/O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
CYP2C19 P33261 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 2/20 0.46
MAPT P10636 3/20 0.41
TSHR P16473 3/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PARP1 P09874 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CES1 P23141 3/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 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
SCHEMBL2153882 1.00 GAA (0.62) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL29261427 0.84 CYP2C19 (0.47) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL2155097 0.82 GAA (0.59) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL2155092 0.82 GAA (0.59) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL1694126 0.80 GAA (0.57) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL12071044 0.80 GAA (0.57) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL1694122 0.80 GAA (0.57) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL4449252 0.77 GAA (0.53) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL6026834 0.77 CYP2C19 (1.00) GAACYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL6026832 0.77 CYP2C19 (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011080254-A2 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-07-07 WO claimed
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
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.