SCHEMBL16202067

SCHEMBL16202067

CCC/C(=N\OC)c1cc(C)c(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
CA2 P00918 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.33
DRD4 P21917 4/20 0.33
DRD2 P14416 2/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL16202079 0.84 RXRA (0.34) KDM4EDRD4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16202068 0.79 DRD4 (0.49) GSK3BCA2CYP1A2CYP2D6CYP2C9
SCHEMBL17720576 0.72 CYP1A2 (0.41) GSK3BCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17772774 0.72 CYP1A2 (0.41) GSK3BCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13019360 0.71 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19DRD4
SCHEMBL16202023 0.71 GSK3B (0.32) GSK3B
SCHEMBL5461220 0.70 ATM (0.48) GSK3BKDM4EDRD4DRD2ALDH1A1
SCHEMBL5461219 0.70 ATM (0.48) GSK3BKDM4EDRD4DRD2ALDH1A1
SCHEMBL5463441 0.69 GSK3B (0.44) GSK3BCA2KDM4EDRD4DRD2
SCHEMBL5463436 0.69 GSK3B (0.44) GSK3BCA2KDM4EDRD4DRD2

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 3105/4885CA2 2870/4885CYP1A2 2785/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 GSK3B 2252/4885CA2 2955/4885CYP1A2 4047/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 GSK3B 2252/4885CA2 2955/4885CYP1A2 4047/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB GSK3B 1990/4885CA2 1799/4885CYP1A2 335/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB GSK3B 1990/4885CA2 1799/4885CYP1A2 335/4885

“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.