SCHEMBL2284983

SCHEMBL2284983

C#CCOc1c(F)cc(C(=O)NCC2(CO)CCCC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
SLC6A5 Q9Y345 9/20 0.39
TP53 P04637 2/20 0.38
P2RX7 Q99572 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CACNA1H O95180 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.33
NPC1 O15118 1/20 0.33
CNR1 P21554 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33

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
SCHEMBL2289794 0.99 SLC6A5 (0.41) CNR2SLC6A5TP53P2RX7L3MBTL1
SCHEMBL2289887 0.98 CNR2 (0.38) CNR2SLC6A5TP53P2RX7L3MBTL1
SCHEMBL2287033 0.95 SLC6A5 (0.36) CNR2SLC6A5TP53L3MBTL1CACNA1H
SCHEMBL2287126 0.85 P2RX7 (0.45) CNR2SLC6A5TP53P2RX7
SCHEMBL4249769 0.84 TP53 (0.43) SLC6A5TP53L3MBTL1NPC1P2RX3
SCHEMBL2289214 0.83 TP53 (0.58) SLC6A5TP53
SCHEMBL2292163 0.82 KCNH2 (0.40) SLC6A5TP53P2RX7NPC1
SCHEMBL2285014 0.81 TP53 (0.43) SLC6A5TP53L3MBTL1HTR2ANPC1
SCHEMBL2282163 0.81 CNR2 (0.39) CNR2TP53CNR1
SCHEMBL2292161 0.80 LMNA (0.57) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
EP-2151432-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES Sumitomo Chemical Company, Limited (JP) 2010-02-10 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-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 CNR2 11/4885SLC6A5 4673/4885TP53 4023/4885

“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.