SCHEMBL4248772

SCHEMBL4248772

C#CCOc1ccc(C(=O)NC2CCCCC2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
ALPL P05186 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
RAB9A P51151 2/20 0.55
APOBEC3G Q9HC16 1/20 0.55
NPC1 O15118 1/20 0.55
TLR8 Q9NR97 1/20 0.52
TLR7 Q9NYK1 1/20 0.52
MAPT P10636 2/20 0.51
CYP2B6 P20813 1/20 0.51
ALOX12 P18054 1/20 0.51
EPHX1 P07099 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
LMNA P02545 1/20 0.49

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 0.99 KMT2A (0.55) KMT2AMEN1ALPLALDH1A1HPGD
SCHEMBL4242863 0.91 CYP2B6 (0.49) KMT2AMEN1ALPLALDH1A1HPGD
SCHEMBL4251513 0.88 CYP2D6 (0.51) KMT2AMEN1ALPLALDH1A1HPGD
SCHEMBL2286621 0.87 TAS1R3 (0.50) KMT2AMEN1ALPLALDH1A1HPGD
SCHEMBL2286624 0.87 TAS1R3 (0.50) KMT2AMEN1ALPLALDH1A1HPGD
SCHEMBL4247590 0.87 TAS1R3 (0.64) ALDH1A1CYP2B6
SCHEMBL4248628 0.87 TAS1R3 (0.64) ALDH1A1CYP2B6
SCHEMBL4240828 0.87 TAS1R3 (0.64) ALDH1A1CYP2B6
SCHEMBL2286615 0.87 TAS1R3 (0.50) KMT2AMEN1ALPLALDH1A1HPGD
SCHEMBL4242748 0.86 RAB9A (0.51) HPGDRAB9ANPC1MAPTTP53

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 KMT2A 909/4885MEN1 3713/4885ALPL 1797/4885

“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.