SCHEMBL3574564

SCHEMBL3574564

CC(CNC(=O)O)c1ccc(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 1/20 0.42
OPRD1 P41143 1/20 0.41
PTK2 Q05397 1/20 0.41
S1PR2 O95136 2/20 0.40
S1PR4 O95977 2/20 0.40
S1PR3 Q99500 2/20 0.40
MAOB P27338 1/20 0.40
S1PR1 P21453 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL17611109 0.83 MAOB (0.41) L3MBTL1PTK2S1PR2S1PR4S1PR3
SCHEMBL17611149 0.82 MAOB (0.43) L3MBTL1PTK2S1PR2S1PR4S1PR3
SCHEMBL27681545 0.81 TRPA1 (0.52) OPRD1S1PR3
SCHEMBL24501229 0.75 ESR1 (0.42) L3MBTL1MAPK1OPRD1PTK2S1PR3
SCHEMBL13677282 0.73 MAPT (0.42) L3MBTL1MAPK1PTK2S1PR3TDP1
SCHEMBL19464637 0.73 MAPT (0.42) L3MBTL1MAPK1PTK2S1PR3TDP1
SCHEMBL13104799 0.73 MAPT (0.42) L3MBTL1MAPK1PTK2S1PR3TDP1
SCHEMBL3573462 0.73 LMNA (0.56) OPRD1
SCHEMBL17611118 0.72 SMN1; SMN2 (0.46) L3MBTL1S1PR2S1PR4S1PR3TDP1
SCHEMBL31186171 0.72 PTK2 (0.39) L3MBTL1MAPK1PTK2S1PR2S1PR4

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
EP-1720865-B1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2014-12-31 EP disclosed
US-7723363-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE SA (FR) 2010-05-25 US disclosed
US-20070167491-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-07-19 US disclosed
EP-1720865-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-11-15 EP disclosed
WO-2005085238-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-09-15 WO disclosed
EP-1574511-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides Bayer CropScience S.A. (FR) 2005-09-14 EP 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-20070167491-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS L3MBTL1 3930/4885MAPK1 3144/4885OPRD1 4821/4885

“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.