SCHEMBL3288185

SCHEMBL3288185

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.35
P2RX2 Q9UBL9 10/20 0.35
TRPA1 O75762 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 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
SCHEMBL3286631 0.86 HTT (0.38) P2RX3P2RX2TRPA1ANO1HTT
SCHEMBL3287129 0.86 CYP2B6 (0.39) TRPA1ANO1MAOAMAOBCHRNA1
SCHEMBL3285636 0.85 HTT (0.49) ANO1HTTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3292761 0.81 NPC1 (0.47) P2RX3P2RX2ANO1HTTL3MBTL1
SCHEMBL3291059 0.79 MAOB (0.43) P2RX3P2RX2MAOB
SCHEMBL3292108 0.79 GRM5 (0.45) P2RX3P2RX2TRPA1ALDH1A1
SCHEMBL3288204 0.78 HTT (0.48) HTTL3MBTL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2291807 0.78 MAPK14 (0.41) P2RX3P2RX2
SCHEMBL2287131 0.77 CYP2C9 (0.43) P2RX3P2RX2HTTL3MBTL1ALDH1A1
SCHEMBL3286749 0.77 CYP2B6 (0.48) HTTL3MBTL1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-1940779-B1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO (JP) 2009-07-22 EP disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
EP-1940779-A2 AMIDE COMPOUNDS AND THEIR USE Sumitomo Chemical Company, Limited (JP) 2008-07-09 EP disclosed
WO-2007049729-A2 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO 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-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA P2RX3 4558/4885P2RX2 4303/4885TRPA1 3117/4885

“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.