Sugi Predict

Sugi Predict / Compounds / SCHEMBL2288643

SCHEMBL2288643

SCHEMBL2288643

C#CCOc1c(F)cc(C(=O)NCC(C)(C)N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 6/20 0.39
▸ P2RX2 Q9UBL9 6/20 0.39
▸ HTR2A P28223 1/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C9 P11712 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ BUB1 O43683 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ ACSL5 Q9ULC5 1/20 0.33
▸ STK24 Q9Y6E0 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ KAT6A Q92794 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL3291054 0.90 CYP2C9 (0.41) P2RX3P2RX2HTR2ASLC6A5ALDH1A1
SCHEMBL2287131 0.89 CYP2C9 (0.43) P2RX3P2RX2SLC6A5ALDH1A1CYP2C9
SCHEMBL2285656 0.86 TYK2 (0.39) P2RX3P2RX2SLC6A5ALDH1A1CYP2C9
SCHEMBL3292761 0.82 NPC1 (0.47) P2RX3P2RX2ALDH1A1HTTL3MBTL1
SCHEMBL3289549 0.80 KMT2A (0.46) P2RX3P2RX2ALDH1A1CYP2C9MAPK14
SCHEMBL3291059 0.78 MAOB (0.43) P2RX3P2RX2
SCHEMBL3286631 0.78 HTT (0.38) P2RX3P2RX2HTTL3MBTL1KAT6A
SCHEMBL3292108 0.78 GRM5 (0.45) P2RX3P2RX2ALDH1A1CYP2C9MAPK14
SCHEMBL4248948 0.77 ITGB3 (0.37) CYP2C9MAPK14MAPK11L3MBTL1NPC1
SCHEMBL2291807 0.77 MAPK14 (0.41) P2RX3P2RX2MAPK14

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 P2RX3 4146/4885P2RX2 3777/4885HTR2A 2876/4885

“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.