SCHEMBL784102

SCHEMBL784102

CCNC(=O)C(Cc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.42
POLB P06746 4/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6606104 0.87 MAPK1 (0.47) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL783552 0.87 LMNA (0.51) GLAKMT2AMEN1PKMPOLB
SCHEMBL784021 0.83 LMNA (0.45) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL5177351 0.79 KMT2A (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL784676 0.78 ALDH1A1 (0.47) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL3428080 0.78 KMT2A (0.44) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2405985 0.78 GLA (0.58) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL784578 0.77 LMNA (0.53) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL783546 0.75 LMNA (0.48) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4418292 0.74 GLA (0.45) GLAKMT2AMEN1CYP1A2CYP3A4

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 57 patents — showing the first 20. 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-1720865-B1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2014-12-31 EP disclosed
EP-1651604-B1 N-´2-(2-PYRIDINYL)ETHYL BENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2014-11-12 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-7960391-B2 Heterocyclylethylbenzamide derivatives BAYER CROPSCIENCE AG (DE) 2011-06-14 US disclosed
US-7932396-B2 2-pyridinylcycloalkylbenzamide derivatives and their use as fungicides BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
EP-1597252-B1 PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS BAYER SAS (FR) 2011-02-09 EP disclosed
EP-1597252-A1 PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS Bayer CropScience S.A. (FR) 2005-11-23 EP disclosed
WO-2005103004-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-11-03 WO disclosed
US-20050234110-A1 Novel 2-pyridylethylbenzamide derivative BAYER SAS (FR) 2005-10-20 US disclosed
WO-2005085238-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-09-15 WO 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-1531673-A2 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE Bayer CropScience S.A. (FR) 2005-05-25 EP disclosed
WO-2005014545-A2 N-′2-(2-PYRIDINYL) ETHYLBENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2005-02-17 WO disclosed
WO-2004074280-A1 PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS BAYER CROPSCIENCE SA (FR) 2004-09-02 WO disclosed
WO-2004016088-A2 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE BAYER CROPSCIENCE S.A. (FR) 2004-02-26 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-20050234110-A1 Novel 2-pyridylethylbenzamide derivative PNPO, PAH, CNPY2 GLA 1133/4885KMT2A 1827/4885MEN1 4496/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 GLA 785/4885KMT2A 817/4885MEN1 2328/4885

“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.