SCHEMBL4245845

SCHEMBL4245845

C#CCOc1c(F)cc(C(=O)N2C3CCCCC32)cc1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 2/20 0.34
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
NR4A1 P22736 1/20 0.30
NR4A2 P43354 1/20 0.30
DHODH Q02127 1/20 0.30
STING1 Q86WV6 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL12377616 0.84 GAA (0.35) GAASMN1; SMN2KMT2AMEN1
SCHEMBL4245711 0.84 GYS1 (0.40) GYS1
SCHEMBL4248562 0.82 GAA (0.44) GAASMN1; SMN2KMT2A
SCHEMBL4248764 0.78 MEN1 (0.46) SMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL4252966 0.77 MEN1 (0.48) SMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL4252787 0.76 TDP1 (0.51) KMT2AMEN1
SCHEMBL4244964 0.75 MEN1 (0.43) SMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL2287267 0.75 NPC1 (0.40) SMN1; SMN2MAPK1NR4A1NR4A2DHODH
SCHEMBL4240818 0.75 TDP1 (0.53) KMT2AMEN1
SCHEMBL2286596 0.75 TAS1R3 (0.33) MAPK1KMT2AMEN1NR4A1NR4A2

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 11 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-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-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-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-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-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US 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 GYS1 3037/4885GAA 251/4885SMN1; SMN2 1812/4885
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 GYS1 2801/4885GAA 1837/4885SMN1; SMN2 3629/4885

“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.