SCHEMBL784586

SCHEMBL784586

O=C(Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.62
HPGD P15428 1/20 0.61
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
KDM4E B2RXH2 1/20 0.54
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
AGBL2 Q5U5Z8 1/20 0.49

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
SCHEMBL27716277 0.83 AGBL2 (0.69) GLAHPGDKMT2AMEN1CYP1A2
SCHEMBL2310275 0.81 LMNA (0.59) GLAHPGDKMT2AMEN1CYP1A2
SCHEMBL4456238 0.79 GLA (0.65) GLAHPGDKMT2AMEN1CYP1A2
SCHEMBL14920934 0.79 CYP1A2 (0.58) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL3422410 0.79 HTT (0.57) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL5202284 0.77 GLA (0.53) GLAHPGDKMT2AMEN1CYP1A2
SCHEMBL7821187 0.77 ALDH1A1 (0.55) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL784677 0.76 CYP1A2 (0.56) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL20972172 0.75 LMNA (0.61) GLAHPGDKMT2AMEN1CYP1A2
SCHEMBL5717719 0.74 MAPT (0.58) GLAHPGDKMT2AMEN1CYP1A2

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 14 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
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

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 GLA 529/4885HPGD 992/4885KMT2A 1855/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS GLA 251/4885HPGD 1954/4885KMT2A 937/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 GLA 785/4885HPGD 2893/4885KMT2A 817/4885
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives CYP1A2, CYP4B1, CYP4F2 GLA 196/4885HPGD 1397/4885KMT2A 1093/4885

“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.