SCHEMBL4249982

SCHEMBL4249982

C#CCOc1ccc(C(=O)NC(C)C2(O)CCCCC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP2B6 P20813 1/20 0.38
MAOB P27338 1/20 0.36
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SLC6A5 Q9Y345 1/20 0.35
LPAR1 Q92633 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL4246097 0.88 SLC6A5 (0.47) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL4246197 0.86 P2RX3 (0.34) MAOBCTSKCTSSCTSLL3MBTL1
SCHEMBL4248762 0.81 CTSK (0.44) TAS1R3TAS1R1CYP2B6CTSKCTSS
SCHEMBL4244962 0.80 KDM4E (0.48) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL13325344 0.80 TAS1R3 (0.47) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL3285899 0.80 TAS1R3 (0.47) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL4240867 0.80 P2RX7 (0.43) CTSKCTSSCTSLL3MBTL1SLC6A5
SCHEMBL4251558 0.79 SLC6A5 (0.46) L3MBTL1SLC6A5ALDH1A1HTR2A
SCHEMBL4241636 0.79 KDM4E (0.44) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL4247582 0.79 KDM4E (0.46) TAS1R3TAS1R1PDE4APDE4BPDE4C

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 TAS1R3 1939/4885TAS1R1 885/4885PDE4A 3091/4885

“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.