SCHEMBL2154017

SCHEMBL2154017

CNC(=O)C(=NO)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 1/20 0.40
POLB P06746 1/20 0.39
TYK2 P29597 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2154012 1.00 HPGD (0.43) HPGDERCC5FEN1NPC1RAB9A
SCHEMBL8846182 1.00 HPGD (0.43) HPGDERCC5FEN1NPC1RAB9A
SCHEMBL6626532 0.82 LMNA (0.47) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL2154230 0.82 LMNA (0.47) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL2154229 0.82 LMNA (0.47) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL8846269 0.81 NPC1 (0.41) HPGDERCC5FEN1NPC1RAB9A
SCHEMBL8846279 0.81 NPC1 (0.41) HPGDERCC5FEN1NPC1RAB9A
SCHEMBL2154243 0.81 ALDH1A1 (0.47) HPGDERCC5FEN1RAB9APOLB
SCHEMBL2154238 0.81 ALDH1A1 (0.47) HPGDERCC5FEN1RAB9APOLB
SCHEMBL19999190 0.79 SMN1; SMN2 (0.43) HPGDERCC5FEN1NPC1RAB9A

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
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
US-5693859-A REACTING ORTHO-SUBSTITUTED PHENYL ALPHA-KETO ACID HALIDE WITH AN AMINE YIELDS SUBSTITUTED PHENYL ALPHA-KETAMIDE SHIONOGI & CO., LTD. (JP) 1997-12-02 US disclosed
EP-0535928-B1 Process for producing intermediates for use in production of alkoxyiminoacetamides SHIONOGI & CO (JP) 1996-05-01 EP disclosed
US-5502252-A FUNGICIDES FOR RICE AND CUCUMBERS SHIONOGI & CO., LTD. (JP) 1996-03-26 US disclosed
US-5387714-A Alpha-keto acid halide intermediate SHIONOGI & CO., LTD. (JP) 1995-02-07 US disclosed
EP-0535928-A2 Process for producing intermediates for use in production of alkoxyiminoacetamides SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-04-07 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-20130040993-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 HPGD 531/4885ERCC5 2816/4885FEN1 1926/4885

“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.