SCHEMBL784099

SCHEMBL784099

CNC(=O)C(Cc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CTSK P43235 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCD O00767 1/20 0.42
MDM2 Q00987 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
SCHEMBL784578 0.88 LMNA (0.53) NPSR1KMT2AMEN1POLBLMNA
SCHEMBL783546 0.88 LMNA (0.48) NPSR1KMT2AMEN1CTSSPOLB
SCHEMBL3428080 0.83 KMT2A (0.44) NPSR1KMT2AMEN1POLBCYP2C19
SCHEMBL784021 0.81 LMNA (0.45) NPSR1KMT2AMEN1POLBLMNA
SCHEMBL783552 0.79 LMNA (0.51) KMT2AMEN1CTSLCTSSPOLB
SCHEMBL3421041 0.79 LMNA (0.44) NPSR1KMT2AMEN1POLBLMNA
SCHEMBL6022882 0.78 KMT2A (0.54) NPSR1KMT2AMEN1POLBLMNA
SCHEMBL3428069 0.73 LMNA (0.48) NPSR1KMT2AMEN1POLBLMNA
SCHEMBL27433056 0.72 MEN1 (0.66) NPSR1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL6606104 0.72 MAPK1 (0.47) NPSR1KMT2AMEN1POLBLMNA

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 54 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 NPSR1 3117/4885KMT2A 1827/4885MEN1 4496/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 NPSR1 4401/4885KMT2A 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.