SCHEMBL5161670

SCHEMBL5161670

CC#CC(C)(C)NC(=O)C(CC)Oc1cncc(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
RAF1 P04049 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
EPAS1 Q99814 3/20 0.32
ABL1 P00519 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP3A4 P08684 2/20 0.32
VEGFA P15692 1/20 0.31
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
LRRK2 Q5S007 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
DGAT2 Q96PD7 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
SCHEMBL5158193 0.89 CHRNB2 (0.33) NPSR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL5161595 0.86 NPSR1 (0.33) NPSR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL4614038 0.85 TSHR (0.35) NPSR1ALDH1A1KMT2ALMNATSHR
SCHEMBL5162728 0.85 CYP3A4 (0.34) XDHNPSR1ALDH1A1MEN1MAPT
SCHEMBL5160452 0.84 PKM (0.35)
SCHEMBL5159277 0.84 CYP1A2 (0.40) NPSR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL4953025 0.83 HPGDS (0.38) NPSR1ALDH1A1MAPTHSD17B10LMNA
SCHEMBL5162469 0.81 NPSR1 (0.32) NPSR1ALDH1A1HSD17B10LMNATSHR
SCHEMBL5156930 0.81 CYP2C19 (0.33) NPSR1ALDH1A1CYP3A4DGAT2
SCHEMBL5158853 0.80 XDH (0.38) XDHRAF1NPSR1ALDH1A1ABL1

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-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
EP-1456174-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES Syngenta Limited (GB) 2004-09-15 EP disclosed
WO-2003048128-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2003-06-12 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 (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 XDH 580/4885RAF1 2024/4885NPSR1 1516/4885
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES DDT, C3AR1, CBR3 XDH 536/4885RAF1 2054/4885NPSR1 1617/4885

“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.