SCHEMBL3289602

SCHEMBL3289602

C#CCOc1c(F)cc(C(=O)NC(C#C)(CC)CC)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
TRPA1 O75762 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KAT6A Q92794 1/20 0.34
RECQL P46063 1/20 0.33
P2RX3 P56373 4/20 0.33
P2RX2 Q9UBL9 4/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
HTR2A P28223 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL3292761 0.85 NPC1 (0.47) L3MBTL1HTTMEN1KMT2AKAT6A
SCHEMBL3286631 0.80 HTT (0.38) L3MBTL1HTTTRPA1KAT6AP2RX3
SCHEMBL3287919 0.80 L3MBTL1 (0.38) L3MBTL1HTTKMT2AP2RX3P2RX2
SCHEMBL3291059 0.78 MAOB (0.43) P2RX3P2RX2
SCHEMBL3291054 0.77 CYP2C9 (0.41) L3MBTL1HTTKAT6AP2RX3P2RX2
SCHEMBL3287140 0.77 TAS1R3 (0.43) HTTP2RX3P2RX2PKM
SCHEMBL3288185 0.76 P2RX3 (0.35) L3MBTL1HTTTRPA1KDM4EKMT2A
SCHEMBL2287131 0.76 CYP2C9 (0.43) L3MBTL1HTTP2RX3P2RX2
SCHEMBL2288990 0.76 KDM4E (0.43) L3MBTL1KDM4EKMT2ANPC1
SCHEMBL13430693 0.75 HDAC1 (0.36) KAT6AP2RX3P2RX2HDAC1HDAC6

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-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
WO-2007049729-A2 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-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA L3MBTL1 1117/4885HTT 1696/4885TRPA1 3117/4885

“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.