SCHEMBL16202070

SCHEMBL16202070

CC/C(=N\OC)c1ccc(C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
GAA P10253 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL17215833 0.86 GAA (0.50) GSK3BDRD4DRD2GAAMEN1
SCHEMBL16202068 0.86 DRD4 (0.49) GSK3BDRD4DRD2GAAMEN1
SCHEMBL15851022 0.86 GAA (0.50) GSK3BDRD4DRD2GAAMEN1
SCHEMBL16202071 0.84 PPARG (0.41) DRD4GAAMEN1KMT2APRSS1
SCHEMBL7942916 0.82 GAA (0.45) GSK3BDRD4DRD2GAAMEN1
SCHEMBL7942918 0.82 GAA (0.45) GSK3BDRD4DRD2GAAMEN1
SCHEMBL13035863 0.79 GAA (0.56) GAAMEN1KMT2APRSS1PRSS2
SCHEMBL6811236 0.78 TRPA1 (0.49) GSK3BDRD4DRD2GAAMEN1
SCHEMBL28113202 0.77 DRD2 (0.47) DRD4DRD2KMT2AALDH1A1MAPT
SCHEMBL8459687 0.77 ATM (0.63) GSK3BDRD4DRD2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 US 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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 GSK3B 3105/4885DRD4 2236/4885DRD2 1932/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 GSK3B 2252/4885DRD4 1620/4885DRD2 1238/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 GSK3B 2252/4885DRD4 1620/4885DRD2 1238/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB GSK3B 1990/4885DRD4 3836/4885DRD2 3156/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB GSK3B 1990/4885DRD4 3836/4885DRD2 3156/4885

“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.