SCHEMBL784676

SCHEMBL784676

CCNC(=O)C(Cc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MRGPRX4 Q96LA9 5/20 0.42
ATM Q13315 1/20 0.41
CTSL P07711 4/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL783552 0.87 LMNA (0.51) MEN1KMT2ALMNAMRGPRX4CTSL
SCHEMBL784021 0.83 LMNA (0.45) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4589611 0.81 KMT2A (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL784102 0.78 GLA (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL784578 0.78 LMNA (0.53) MEN1KMT2ALMNAMAPTMRGPRX4
SCHEMBL783546 0.73 LMNA (0.48) MEN1KMT2ALMNAGAANPSR1
SCHEMBL3421041 0.72 LMNA (0.44) MEN1KMT2ALMNAMAPTGAA
SCHEMBL784099 0.71 NPSR1 (0.49) MEN1KMT2ALMNAMAPTCTSL
SCHEMBL8884550 0.69 ATM (0.67) ALDH1A1MEN1KMT2ALMNAATM
SCHEMBL3428080 0.68 KMT2A (0.44) MEN1KMT2AGAANPSR1PKM

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 55 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
WO-2006008194-A1 3-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-01-26 WO disclosed
EP-1531673-B1 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2006-01-04 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
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

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 ALDH1A1 2346/4885MEN1 4496/4885KMT2A 1827/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 ALDH1A1 831/4885MEN1 2328/4885KMT2A 817/4885

“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.