SCHEMBL783555

SCHEMBL783555

O=C1c2ccccc2C(=O)N1CC(O)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
MAPK1 P28482 1/20 0.44
RAB9A P51151 2/20 0.44
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
POLB P06746 2/20 0.41
JAK2 O60674 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MC4R P32245 1/20 0.41
HTT P42858 1/20 0.41
CCR6 P51684 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6160194 0.77 KMT2A (0.53) KMT2AMEN1GLAHPGDLMNA
SCHEMBL783445 0.75 GLA (0.55) KMT2AMEN1RAB9AGLAHPGD
SCHEMBL6606281 0.75 KMT2A (0.54) KMT2AMEN1RAB9AGLAHPGD
SCHEMBL16711760 0.74 HPGD (0.50) KMT2AMEN1RAB9AGLAHPGD
SCHEMBL16711763 0.74 HPGD (0.50) KMT2AMEN1RAB9AGLAHPGD
SCHEMBL3779398 0.73 KMT2A (0.52) KMT2AMEN1RAB9AGLAHPGD
SCHEMBL784569 0.73 MAPK1 (0.52) KMT2AMEN1MAPK1LMNASMN1; SMN2
SCHEMBL6605779 0.73 HPGD (0.46) KMT2AMEN1GLAHPGDLMNA
SCHEMBL3783043 0.71 HPGD (0.45) KMT2AMEN1RAB9AGLAHPGD
SCHEMBL6339391 0.69 CYP2C19 (0.51) KMT2AMEN1RAB9AGLAHPGD

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 10 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-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 KMT2A 1855/4885MEN1 3558/4885MAPK1 4147/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS KMT2A 937/4885MEN1 1795/4885MAPK1 3144/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 KMT2A 817/4885MEN1 2328/4885MAPK1 3109/4885
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives CYP1A2, CYP4B1, CYP4F2 KMT2A 1093/4885MEN1 1814/4885MAPK1 3077/4885

“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.