SCHEMBL4248562

SCHEMBL4248562

C#CCOc1c(OC)cc(C(=O)N2C3CCCCC32)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4B Q07343 1/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL4240861 0.85 HPGD (0.50) SMN1; SMN2TDP1PDE4BPOLBALDH1A1
SCHEMBL12377616 0.85 GAA (0.35) GAASMN1; SMN2PDE4BKMT2AHTR1A
SCHEMBL4245845 0.82 GYS1 (0.34) GAASMN1; SMN2KMT2A
SCHEMBL4248615 0.80 MEN1 (0.54) TDP1KMT2ASIRT5POLBALDH1A1
SCHEMBL4242233 0.79 MEN1 (0.56) SMN1; SMN2TDP1KMT2ASIRT5POLB
SCHEMBL4249996 0.78 MAPK1 (0.53) TDP1KMT2ASIRT5POLBALDH1A1
SCHEMBL12799554 0.77 TDP1 (0.72) TDP1KMT2ASIRT5POLBALDH1A1
SCHEMBL12799697 0.77 LMNA (0.51) GAAPDE4BHTTKMT2ADRD2
SCHEMBL2289816 0.77 TPMT (0.54) TDP1PDE4BHTTKMT2APOLB
SCHEMBL4248420 0.76 TDP1 (0.74) TDP1KMT2ASIRT5POLBALDH1A1

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-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
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 GAA 251/4885SMN1; SMN2 1812/4885TDP1 3052/4885

“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.