SCHEMBL783597

SCHEMBL783597

N#CC(C(=O)O)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 2/20 0.63
GAA P10253 2/20 0.63
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 2/20 0.47
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 3/20 0.41
LMNA P02545 3/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPRA P18433 1/20 0.41
TSHR P16473 2/20 0.39
ABCB11 O95342 1/20 0.39
ESR1 P03372 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
SCHEMBL4361229 0.84 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL19668743 0.84 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL31724491 0.80 KMT2A (0.74) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8725874 0.80 SMN1; SMN2 (0.57) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL13516453 0.78 SMN1; SMN2 (1.00) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL21933011 0.77 CYP1A2 (0.45) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL27361704 0.77 ALDH1A1 (0.60) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL8836716 0.77 ALDH1A1 (0.60) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL7719801 0.75 ALDH1A1 (0.59) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL3767996 0.75 SLC6A3 (0.52) KMT2ASMN1; SMN2MEN1GAAALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651604-B1 N-´2-(2-PYRIDINYL)ETHYL BENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2014-11-12 EP claimed
US-7723364-B2 N-[2-(2-pyridinyl) ethyl]benzamide compounds and their use as fungicides BAYER CROPSCIENCE SA (FR) 2010-05-25 US claimed
US-20060246102-A1 N-'2-(2-pyridinyl) ethylbenzamide compounds and their use as fungicides BAYER SAS (FR) 2006-11-02 US claimed
EP-1651604-A2 N-¬2-(2-PYRIDINYL)ETHYL|BENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-05-03 EP claimed
WO-2005014545-A2 N-′2-(2-PYRIDINYL) ETHYLBENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2005-02-17 WO claimed
EP-1500651-A1 N-[2-(2-Pyridinyl)ethyl]benzamide compounds and their use as fungicides Bayer CropScience S.A. (FR) 2005-01-26 EP claimed
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
WO-2005085238-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-09-15 WO disclosed
EP-1574511-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides Bayer CropScience S.A. (FR) 2005-09-14 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
WO-2005014545-A2 N-′2-(2-PYRIDINYL) ETHYLBENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2005-02-17 WO disclosed
EP-1500651-A1 N-[2-(2-Pyridinyl)ethyl]benzamide compounds and their use as fungicides Bayer CropScience S.A. (FR) 2005-01-26 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 (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-20060246102-A1 N-'2-(2-pyridinyl) ethylbenzamide compounds and their use as fungicides CYP1A2, CYP4B1, CYP1B1 KMT2A 1783/4885SMN1; SMN2 1751/4885MEN1 1223/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 KMT2A 817/4885SMN1; SMN2 3882/4885MEN1 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.