SCHEMBL3285897

SCHEMBL3285897

C#CCOc1ccc(C(=O)NCC(C)C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 4/20 0.48
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 3/20 0.45
MLYCD O95822 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2B6 P20813 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTR2A P28223 1/20 0.41
NAMPT P43490 1/20 0.40
KCNQ3 O43525 2/20 0.40

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
SCHEMBL3287835 0.85 CYP2B6 (0.53) KMT2AGAAHSD17B10HPGDNPSR1
SCHEMBL3289549 0.84 KMT2A (0.46) KMT2AGAAHSD17B10HPGDNPSR1
SCHEMBL13325344 0.83 TAS1R3 (0.47) CYP2B6TAS1R3TAS1R1ALDH1A1CYP2C9
SCHEMBL3285899 0.83 TAS1R3 (0.47) CYP2B6TAS1R3TAS1R1ALDH1A1CYP2C9
SCHEMBL3286029 0.83 CYP2B6 (0.43) KMT2ACYP2B6TAS1R3TAS1R1CYP2C9
SCHEMBL3286621 0.81 GRM5 (0.47) CYP2B6TAS1R3TAS1R1ALDH1A1CYP2C9
SCHEMBL3285931 0.81 CYP2B6 (0.41) CYP2B6TAS1R3TAS1R1ALDH1A1HTR2A
SCHEMBL3288051 0.80 TAS1R3 (0.47) CYP2B6TAS1R3TAS1R1ALDH1A1HTR2A
SCHEMBL3288140 0.80 TAS1R3 (0.56) HPGDMLYCDSMN1; SMN2CYP2B6TAS1R3
SCHEMBL23417851 0.80 KMT2A (0.54) KMT2AGAAHSD17B10HPGDNPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714168-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) 2010-05-11 US disclosed
US-7714168-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) 2010-05-11 US disclosed
US-7714168-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) 2010-05-11 US disclosed
EP-1940779-B1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO (JP) 2009-07-22 EP disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US 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-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA KMT2A 896/4885GAA 341/4885HSD17B10 729/4885

“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.