SCHEMBL4249716

SCHEMBL4249716

C#CCOc1ccc(C(=O)NCC2(C)CCCCC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 8/20 0.58
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.48
CYP2B6 P20813 1/20 0.48
LMNA P02545 2/20 0.47
G6PD P11413 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PDE4B Q07343 1/20 0.42

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
SCHEMBL4245123 0.89 SLC6A5 (0.58) SLC6A5CRHBPCRHR2MEN1KMT2A
SCHEMBL2290433 0.88 SLC6A5 (0.56) SLC6A5CRHBPCRHR2MEN1KMT2A
SCHEMBL4241529 0.87 SLC6A5 (0.44) SLC6A5CRHBPCRHR2MEN1KMT2A
SCHEMBL4244675 0.87 TP53 (0.58) SLC6A5CRHBPCRHR2MEN1KMT2A
SCHEMBL2286302 0.87 SLC6A5 (0.56) SLC6A5CRHBPCRHR2MEN1KMT2A
SCHEMBL2357860 0.86 SLC6A5 (0.55) SLC6A5CRHBPCRHR2MEN1KMT2A
SCHEMBL2284163 0.84 SLC6A5 (0.52) SLC6A5CRHBPCRHR2MEN1KMT2A
SCHEMBL2284700 0.84 SLC6A5 (0.52) SLC6A5CRHBPCRHR2MEN1KMT2A
SCHEMBL14538401 0.82 SLC6A5 (0.48) SLC6A5CRHBPCRHR2MEN1KMT2A
SCHEMBL4244977 0.80 TDP1 (0.61) SLC6A5MEN1KMT2ACYP2B6LMNA

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 6 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

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 SLC6A5 3917/4885CRHBP 3160/4885CRHR2 3548/4885

“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.