SCHEMBL15066534

SCHEMBL15066534

N#CC(=NO)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
PARP1 P09874 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CTSL P07711 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
TYMP P19971 1/20 0.38
PLA2G7 Q13093 1/20 0.38
POLB P06746 1/20 0.37
PKM P14618 3/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 2/20 0.36

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
SCHEMBL15066533 1.00 CES2 (0.47) CES2CES1PARP1HDAC1HDAC6
SCHEMBL17966195 0.78 HSD17B10 (0.45) PARP1HDAC6SMN1; SMN2TYMPPOLB
SCHEMBL10750769 0.78 PARP1 (0.44) PARP1MAPTNPC1RAB9ACTSL
SCHEMBL6157464 0.78 C1S (0.44) PARP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10761499 0.78 GSK3B (0.53) MAPTALDH1A1
SCHEMBL9823556 0.78 F2 (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17966196 0.78 HSD17B10 (0.45) PARP1HDAC6SMN1; SMN2TYMPPOLB
SCHEMBL10761496 0.78 GSK3B (0.53) MAPTALDH1A1
SCHEMBL6157461 0.78 C1S (0.44) PARP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10750765 0.78 PARP1 (0.44) PARP1MAPTNPC1RAB9ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556158-B2 Fungicidal 3-[(pyridin-2-ylmethoxyimino)(phenyl)methyl]-2-substituted-1,2,4-oxadiazol-5(2H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
EP-2797891-B1 FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-09-30 EP disclosed
US-20140350058-A1 FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
EP-2797891-A1 FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-11-05 EP disclosed
WO-2013098147-A1 FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 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-20140350058-A1 FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES CYP51A1, AZI2, PNPO CES2 1916/4885CES1 1716/4885PARP1 4060/4885

“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.