SCHEMBL3138997

SCHEMBL3138997

COc1c(F)cc(C(=O)NCC2CCCCC2)cc1F

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.74
HDAC6 Q9UBN7 2/20 0.51
MLYCD O95822 1/20 0.51
POLB P06746 2/20 0.51
MMP13 P45452 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CA2 P00918 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL3148208 0.85 TDP1 (1.00) TDP1POLBMMP13KMT2AMEN1
SCHEMBL4242636 0.84 TDP1 (0.58) TDP1HDAC6MLYCDPOLBMMP13
SCHEMBL3139963 0.83 TDP1 (0.65) TDP1HDAC6MLYCDPOLBMMP13
SCHEMBL27390491 0.83 TDP1 (0.56) TDP1HDAC6MLYCDPOLBMMP13
SCHEMBL27391631 0.83 TDP1 (0.57) TDP1HDAC6MLYCDPOLBMMP13
SCHEMBL4242119 0.82 TDP1 (0.67) TDP1HDAC6MLYCDPOLBMMP13
SCHEMBL4240818 0.81 TDP1 (0.53) TDP1HDAC6MLYCDPOLBMMP13
SCHEMBL4248962 0.81 TDP1 (0.65) TDP1POLBMMP13KMT2A
SCHEMBL2917118 0.81 TDP1 (0.68) TDP1HDAC6MLYCDPOLBMMP13
SCHEMBL13304371 0.81 TDP1 (0.54) TDP1HDAC6MLYCDPOLBMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD SUMITOMO CHEMICAL COMPANY ,LIMITED 2010-06-03 US disclosed
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD SUMITOMO CHEMICAL COMPANY ,LIMITED 2010-06-03 US disclosed
EP-2179651-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD Sumitomo Chemical Company, Limited (JP) 2010-04-28 EP 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-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD CBR3, CBR1, HDHD5 TDP1 4583/4885HDAC6 1869/4885MLYCD 3702/4885

“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.