SCHEMBL4242863

SCHEMBL4242863

C#CCOc1ccc(C(=O)NC2CCC(C)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
TAS1R2 Q8TE23 2/20 0.49
MAPK14 Q16539 1/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
ALPL P05186 1/20 0.47
LMNA P02545 1/20 0.47
ACHE P22303 1/20 0.46
MCHR1 Q99705 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL4248917 0.92 KMT2A (0.55) CYP2B6NPC1KMT2ARAB9AMEN1
SCHEMBL4248772 0.91 KMT2A (0.57) CYP2B6NPC1KMT2ARAB9AMEN1
SCHEMBL4251513 0.88 CYP2D6 (0.51) CYP2B6NPC1KMT2ARAB9AMEN1
SCHEMBL4245835 0.85 MAPK14 (0.51) CYP2B6MAPK14ALDH1A1
SCHEMBL4248628 0.83 TAS1R3 (0.64) CYP2B6TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4247590 0.83 TAS1R3 (0.64) CYP2B6TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4240828 0.83 TAS1R3 (0.64) CYP2B6TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4241497 0.83 TAS1R3 (0.61) CYP2B6TAS1R3TAS1R1TAS1R2CYP2D6
SCHEMBL14538395 0.81 NPC1 (0.49) TAS1R3TAS1R1TAS1R2MAPK14NPC1
SCHEMBL4251853 0.81 TAS1R3 (0.53) CYP2B6TAS1R3TAS1R1TAS1R2NPC1

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 CYP2B6 2145/4885TAS1R3 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.