SCHEMBL4248948

SCHEMBL4248948

C#CCOc1c(F)cc(C(=O)NCCC2CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
CHRM4 P08173 4/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.36
CYP2C9 P11712 3/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK11 Q15759 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
SCHEMBL4245834 0.95 NPC1 (0.43) ITGB3ITGA2BCHRM4NPC1RAB9A
SCHEMBL4244678 0.95 NPC1 (0.40) ITGB3ITGA2BCHRM4NPC1RAB9A
SCHEMBL4245882 0.94 NPC1 (0.42) CHRM4NPC1RAB9AL3MBTL1MAPK14
SCHEMBL4249956 0.88 TDP1 (0.44) CYP2C9MAPK14MAPK11
SCHEMBL4245881 0.86 TDP1 (0.51) NPC1L3MBTL1
SCHEMBL4249017 0.86 TDP1 (0.48) NPC1L3MBTL1
SCHEMBL4244301 0.85 TDP1 (0.53) L3MBTL1
SCHEMBL4252805 0.85 ROCK2 (0.42) ITGB3ITGA2BCHRM4MAPK14
SCHEMBL4247544 0.83 TDP1 (0.49) NPC1L3MBTL1
SCHEMBL4252787 0.83 TDP1 (0.51) NPC1RAB9ACYP2C9MAPK14MAPK11

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 4 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-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP 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 (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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA ITGB3 4855/4885ITGA2B 4742/4885CHRM4 3367/4885

“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.