SCHEMBL784514

SCHEMBL784514

CC(C#N)(C(=O)O)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 5/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
LMNA P02545 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL14920461 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1GAACYP3A4
SCHEMBL14921072 0.78 GLA (0.52) ALDH1A1GLAHPGDSMN1; SMN2MAPK1
SCHEMBL7536561 0.77 PLAU (0.47) ALDH1A1SMN1; SMN2GAACYP3A4CYP2C19
SCHEMBL4410035 0.77 ALDH1A1 (0.42) ALDH1A1GLAHPGDSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL6157994 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAACYP3A4CYP2C19
SCHEMBL3926835 0.75 HPGD (0.42) ALDH1A1GLAHPGDSMN1; SMN2MAPK1
SCHEMBL28718148 0.75 MAPK1 (0.52) ALDH1A1GLAHPGDSMN1; SMN2MAPK1
SCHEMBL14920829 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1GAACYP3A4
SCHEMBL12871592 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1GAACYP3A4
SCHEMBL6158224 0.73 MEN1 (0.55) ALDH1A1GLAHPGDSMN1; SMN2MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7572818-B2 Fungicides; N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-trifluoromethylbenzamide; -{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-iodobenzamide; -{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-bromobenzamide BAYER CROPSCIENCE S.A. (FR) 2009-08-11 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-20070099965-A1 2-Pyridinylethylbenzamide derivatives BAYER SAS (FR) 2007-05-03 US disclosed
US-20050234110-A1 Novel 2-pyridylethylbenzamide derivative BAYER SAS (FR) 2005-10-20 US 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 ALDH1A1 1119/4885GLA 529/4885HPGD 992/4885
US-20050234110-A1 Novel 2-pyridylethylbenzamide derivative PNPO, PAH, CNPY2 ALDH1A1 2346/4885GLA 1133/4885HPGD 708/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 ALDH1A1 831/4885GLA 785/4885HPGD 2893/4885
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives CYP1A2, CYP4B1, CYP4F2 ALDH1A1 772/4885GLA 196/4885HPGD 1397/4885

“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.