SCHEMBL5162469

SCHEMBL5162469

C=Cc1cncc(OC(CC)C(=O)NC(C)(C)C#CC)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6671259 0.94 CYP1A2 (0.35) CHRNB2CHRNA4
SCHEMBL5160452 0.83 PKM (0.35)
SCHEMBL5159277 0.83 CYP1A2 (0.40) NPSR1ALDH1A1LMNA
SCHEMBL5162728 0.82 CYP3A4 (0.34) NPSR1ALDH1A1LMNATSHRHTT
SCHEMBL5158193 0.81 CHRNB2 (0.33) NPSR1CHRNB2ALDH1A1LMNATSHR
SCHEMBL5161670 0.81 XDH (0.34) NPSR1ALDH1A1LMNATSHRHTT
SCHEMBL5156930 0.80 CYP2C19 (0.33) NPSR1ALDH1A1
SCHEMBL5161595 0.79 NPSR1 (0.33) NPSR1CHRNB2ALDH1A1
SCHEMBL11528939 0.78 NPSR1 (0.38) NPSR1ALDH1A1LMNATSHRHTT
SCHEMBL5161063 0.76 PPARG (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-06-14 US disclosed
EP-1456174-B1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LTD (GB) 2007-02-14 EP disclosed
US-7166621-B2 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA LIMITED (GB) 2007-01-23 US disclosed
US-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2005-03-24 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 (2 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-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides DDT, C3AR1, CNPY3 NPSR1 1516/4885PTGS2 4472/4885CHRNB2 1946/4885
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES DDT, C3AR1, CBR3 NPSR1 1617/4885PTGS2 4406/4885CHRNB2 2161/4885

“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.