SCHEMBL784479

SCHEMBL784479

N#CC(N=C(c1ccccc1)c1ccccc1)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.52
GAA P10253 4/20 0.51
LMNA P02545 4/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL5200890 0.78 GLA (0.47) ALDH1A1PKMGAALMNAGLA
SCHEMBL4961217 0.75 L3MBTL1 (0.81) ALDH1A1PKMGAALMNAMAPT
SCHEMBL636057 0.74 KMT2A (0.56) ALDH1A1GAALMNAL3MBTL1GLA
SCHEMBL6157186 0.71 ALDH1A1 (0.47) ALDH1A1PKMGAALMNAMAPT
SCHEMBL7586393 0.71 ALDH1A1 (0.47) ALDH1A1PKMGAALMNAMAPT
SCHEMBL4452273 0.71 ALDH1A1 (0.56) ALDH1A1PKMGAALMNAMAPT
SCHEMBL14921128 0.70 L3MBTL1 (0.60) ALDH1A1PKMGAALMNAMAPT
SCHEMBL18292261 0.70 L3MBTL1 (0.64) ALDH1A1PKMGAALMNAMAPT
SCHEMBL5202284 0.69 GLA (0.53) ALDH1A1GAALMNAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL784570 0.69 L3MBTL1 (0.59) ALDH1A1PKMGAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694648-B1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES BAYER SAS (FR) 2015-07-29 EP disclosed
EP-1694649-B1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2014-01-22 EP disclosed
US-8318777-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2012-11-27 US disclosed
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2012-03-22 US disclosed
US-8071627-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2011-12-06 US disclosed
EP-1204642-B1 FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-10-13 EP disclosed
US-7560567-B2 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE S.A. (FR) 2009-07-14 US disclosed
US-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides BAYER CROPSCIENCE S.A. 2009-04-02 US disclosed
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2007-05-24 US disclosed
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives BAYER SAS (FR) 2007-05-03 US disclosed
EP-1694648-A1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2006-08-30 EP disclosed
EP-1694649-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-08-30 EP disclosed
WO-2005058828-A1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE S.A. (FR) 2005-06-30 WO disclosed
WO-2005058833-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-06-30 WO disclosed
EP-1548007-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides Bayer CropScience S.A. (FR) 2005-06-29 EP disclosed
EP-1204322-B1 FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 2005-02-09 EP disclosed
US-6630495-B1 Compound containing 2-pyridyl or its N-oxide BAYER CROPSCIENCE GMBH (DE) 2003-10-07 US disclosed
EP-1204322-A1 FUNGICIDES Aventis CropScience GmbH (DE) 2002-05-15 EP disclosed
WO-2001011966-A1 FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-02-22 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 (4 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-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides PFAS, CYP4F2, FPGS ALDH1A1 1119/4885PKM 842/4885GAA 83/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS ALDH1A1 1103/4885PKM 503/4885GAA 114/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 ALDH1A1 831/4885PKM 573/4885GAA 230/4885
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives CYP1A2, CYP4B1, CYP4F2 ALDH1A1 772/4885PKM 258/4885GAA 51/4885

“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.