SCHEMBL3289575

SCHEMBL3289575

C#CCOc1c(F)cc(C(=O)Cl)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
CYP2B6 P20813 1/20 0.41
PDE4B Q07343 1/20 0.40
TUBB1 Q9H4B7 4/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KRAS P01116 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL2284030 0.90 HTT (0.49) HTTCYP2B6PDE4BKMT2AMEN1
SCHEMBL12799728 0.88 LMNA (0.45) HTTCYP2B6PDE4BTUBB1L3MBTL1
SCHEMBL2292245 0.88 HTT (0.48) HTTCYP2B6PDE4BTUBB1KMT2A
SCHEMBL2285882 0.87 NPC1 (0.35) HTTCYP2B6LMNAMAPK1TSHR
SCHEMBL2283997 0.86 USP2 (0.47) HTTPDE4BL3MBTL1LMNAMAPK1
SCHEMBL3223660 0.85 HTT (0.45) HTTCYP2B6PDE4BTUBB1KMT2A
SCHEMBL13418645 0.83 HTT (0.43) HTTCYP2B6PDE4BKMT2AMEN1
SCHEMBL3230435 0.82 SCN9A (0.39) HTTCYP2B6KMT2AMEN1LMNA
SCHEMBL3288244 0.79 MAPK1 (0.46) HTTCYP2B6TUBB1KMT2AMEN1
SCHEMBL13325364 0.79 MAPK1 (0.46) HTTCYP2B6TUBB1KMT2AMEN1

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-7902400-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) 2011-03-08 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-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 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
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049729-A2 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed
WO-2007049728-A1 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 (2 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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA HTT 1567/4885CYP2B6 2145/4885PDE4B 2831/4885
US-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA HTT 1696/4885CYP2B6 2549/4885PDE4B 2706/4885

“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.