SCHEMBL4249949

SCHEMBL4249949

C#CCOc1c(F)cc(C(=O)NCC2CCC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
HDAC6 Q9UBN7 2/20 0.41
MLYCD O95822 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 3/20 0.40
CYP2C9 P11712 2/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
MAPK11 Q15759 1/20 0.39
BCHE P06276 2/20 0.39
MAOB P27338 2/20 0.39
MMP13 P45452 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL4252787 0.98 TDP1 (0.51) TDP1HDAC6MLYCDMEN1KMT2A
SCHEMBL4240818 0.96 TDP1 (0.53) TDP1HDAC6MLYCDMEN1KMT2A
SCHEMBL4249956 0.95 TDP1 (0.44) TDP1HDAC6MAPK14CYP2C9F2
SCHEMBL4240864 0.90 TDP1 (0.61) TDP1MEN1KMT2AMAPK14
SCHEMBL3228770 0.89 TDP1 (0.48) TDP1HDAC6MLYCDMEN1KMT2A
SCHEMBL4244678 0.88 NPC1 (0.40) TDP1MAPK14NPC1RAB9A
SCHEMBL4248962 0.88 TDP1 (0.65) TDP1KMT2AMMP13
SCHEMBL4242119 0.87 TDP1 (0.67) TDP1HDAC6MLYCDMEN1KMT2A
SCHEMBL4245834 0.86 NPC1 (0.43) TDP1HDAC6MLYCDMAPK14NPC1
SCHEMBL3230082 0.85 POLB (0.47) TDP1HDAC6MLYCDMEN1KMT2A

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 8 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-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-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
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 TDP1 3052/4885HDAC6 239/4885MLYCD 181/4885

“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.