SCHEMBL13719702

SCHEMBL13719702

Cc1ccc(-c2ccsc2)cc1-c1c(O)n2n(c1=O)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.39
ERN1 O75460 2/20 0.36
ACMSD Q8TDX5 1/20 0.36
NR4A2 P43354 1/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
BTK Q06187 1/20 0.32
ALOX5 P09917 1/20 0.32
TGFBR1 P36897 1/20 0.32
DRD2 P14416 1/20 0.32
HTR6 P50406 1/20 0.32
KCNH2 Q12809 1/20 0.32
PRKDC P78527 1/20 0.32
HTR7 P34969 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL5540559 0.84 PKM (0.35)
SCHEMBL13719699 0.83 TYMS (0.42)
SCHEMBL5542073 0.82 MAPK13 (0.36)
SCHEMBL5540679 0.80 HDAC4 (0.39)
SCHEMBL5541998 0.79 ESR2 (0.44) ALOX5
SCHEMBL13746778 0.77
SCHEMBL5539407 0.76 HRH3 (0.41) TGFBR1
SCHEMBL5541905 0.76 LRRK2 (0.36)
SCHEMBL7914555 0.70 HPGD (0.41)
SCHEMBL5542332 0.69 MAPK13 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569517-B2 4-biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide BAYER CROPSCIENCE AG (DE) 2009-08-04 US disclosed
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide BAYER CROPSCIENCE AG (DE) 2007-04-26 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 (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-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide DDT, CYP4X1, HPD PTPRC 443/4885ERN1 4736/4885ACMSD 492/4885

“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.