SCHEMBL4249013

SCHEMBL4249013

C#CCOc1c(OC)cc(C(=O)NC2CCCCC2Cl)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.42
OPRK1 P41145 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
TAS1R2 Q8TE23 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR6 O00574 2/20 0.39
CYP2B6 P20813 1/20 0.39
CXCR4 P61073 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
SCHEMBL4249936 0.88 TAS1R3 (0.55) TDP1TAS1R3TAS1R1POLBTAS1R2
SCHEMBL4251680 0.88 TDP1 (0.45) TDP1TAS1R3TAS1R1POLBMAPK1
SCHEMBL4247975 0.87 TAS1R3 (0.52) TAS1R3TAS1R1MEN1KMT2ACYP2B6
SCHEMBL4248615 0.86 MEN1 (0.54) TDP1POLBMAPK1OPRK1SIRT5
SCHEMBL4248958 0.86 TAS1R3 (0.52) TDP1TAS1R3TAS1R1MAPK1OPRK1
SCHEMBL4242233 0.85 MEN1 (0.56) TDP1POLBMAPK1OPRK1SIRT5
SCHEMBL4248445 0.84 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2
SCHEMBL4249996 0.84 MAPK1 (0.53) TDP1POLBMAPK1OPRK1SIRT5
SCHEMBL3231475 0.82 TAS1R3 (0.51) TDP1TAS1R3TAS1R1TAS1R2
SCHEMBL4247481 0.81 TAS1R3 (0.52) TDP1TAS1R3TAS1R1TAS1R2

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 3052/4885TAS1R3 1939/4885TAS1R1 885/4885

“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.