SCHEMBL3140309

SCHEMBL3140309

COc1c(F)cc(C(=O)NCC2(O)CCCCC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
P2RX7 Q99572 12/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.47
BRD4 O60885 1/20 0.47
SLC6A5 Q9Y345 3/20 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
SCHEMBL4248415 0.83 TP53 (0.53) TP53P2RX7L3MBTL1BRD4SLC6A5
SCHEMBL12832047 0.82 NPC1 (0.57) TP53P2RX7NPC1
SCHEMBL2287126 0.82 P2RX7 (0.45) TP53P2RX7SLC6A5
SCHEMBL13304375 0.81 P2RX7 (0.48) P2RX7
SCHEMBL3232593 0.77 P2RX7 (0.48) P2RX7
SCHEMBL16233167 0.76 SLC6A5 (0.77) TP53L3MBTL1SLC6A5
SCHEMBL4244663 0.75 TP53 (0.58) TP53P2RX7L3MBTL1BRD4SLC6A5
SCHEMBL3138997 0.75 TDP1 (0.74) NPC1
SCHEMBL2854387 0.73 P2RX7 (0.53) P2RX7SLC6A5
SCHEMBL13175575 0.73 TP53 (0.51) TP53P2RX7L3MBTL1BRD4SLC6A5

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 TP53 4733/4885P2RX7 3479/4885L3MBTL1 238/4885

“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.