SCHEMBL10309281

SCHEMBL10309281

COC(=S)Oc1c(C)c(-c2cccnc2)oc(=O)c1-c1c(C)cc(C2CC2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
KCNA3 P22001 2/20 0.34
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SLC2A1 P11166 1/20 0.32
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
FASN P49327 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ELANE P08246 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
SCD O00767 1/20 0.31

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
SCHEMBL13527232 0.87 KCNA3 (0.36) MAOAKCNA3MAOBALDH1A1KDM4E
SCHEMBL13355802 0.85 MAOA (0.36) MAOAKCNA3MAOBALDH1A1KDM4E
SCHEMBL9883903 0.82 TSHR (0.38) MAOAKCNA3MAOBALDH1A1MAPT
SCHEMBL2434431 0.82 MAOA (0.43) MAOAKCNA3MAOBBRD4ATAD2
SCHEMBL13097104 0.80 ABL1 (0.35) MAOAKCNA3MAOB
SCHEMBL12269931 0.78 LMNA (0.36) MAOAMAOBKDM4ECYP1A2CYP11B1
SCHEMBL14609696 0.78 MAOA (0.41) MAOAKCNA3MAOBALDH1A1KDM4E
SCHEMBL12702906 0.77 CHRM2 (0.34) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL811879 0.74 CYP17A1 (0.36) MAOAMAOBKDM4ESLC2A1
SCHEMBL18724347 0.72 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541617-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2013-09-24 US disclosed
US-8541617-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2013-09-24 US disclosed
US-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2012-07-12 US disclosed
US-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2012-07-12 US disclosed
US-8013172-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-06 US disclosed
US-8013172-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-06 US disclosed
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
WO-2007096058-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-08-30 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 (2 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-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS PHYKPL, KCNE1, PIKFYVE MAOA 4092/4885KCNA3 10/4885MAOB 4368/4885
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS PHYKPL, KCNE1, PKM MAOA 4039/4885KCNA3 29/4885MAOB 4271/4885

“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.