SCHEMBL2286596

SCHEMBL2286596

C#CCOc1c(F)cc(C(=O)NC2CCCCC2=O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
DHODH Q02127 1/20 0.33
RECQL P46063 1/20 0.33
SSTR3 P32745 1/20 0.32
CHRNA7 P36544 1/20 0.32
MAPK1 P28482 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CRBN Q96SW2 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 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
SCHEMBL2289067 0.88 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2NR4A1NR4A2
SCHEMBL4248764 0.83 MEN1 (0.46) MAPK1NPC1RAB9AMEN1KMT2A
SCHEMBL4252966 0.82 MEN1 (0.48) MAPK1NPC1RAB9AMEN1KMT2A
SCHEMBL4247557 0.82 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2SSTR3CHRNA7
SCHEMBL4244964 0.81 MEN1 (0.43) MAPK1NPC1RAB9AMEN1KMT2A
SCHEMBL4244880 0.81 MAPK14 (0.42) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL1928339 0.81 SCN9A (0.39) CRBN
SCHEMBL4249309 0.80 CNR1 (0.44) TAS1R3TAS1R1TAS1R2
SCHEMBL4248445 0.79 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2SSTR3CHRNA7
SCHEMBL2287117 0.79 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2SSTR3CHRNA7

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 TAS1R3 2625/4885TAS1R1 1944/4885TAS1R2 2066/4885

“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.