SCHEMBL3456741

SCHEMBL3456741

CO/N=C(/C(=O)O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.39
MAP4K4 O95819 1/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
SYK P43405 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
DHODH Q02127 1/20 0.35
IDO1 P14902 1/20 0.35
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SCN9A Q15858 1/20 0.34
DCK P27707 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL6447259 0.91 HIF1A (0.41) PIN1MAP4K4POLBGAAALDH1A1
SCHEMBL3958493 0.81 PIN1 (0.41) PIN1MAP4K4POLBGAAALDH1A1
SCHEMBL205371 0.81 PIN1 (0.41) PIN1MAP4K4POLBGAAALDH1A1
SCHEMBL435487 0.81 PIN1 (0.41) PIN1MAP4K4POLBGAAALDH1A1
SCHEMBL30819212 0.81 PIN1 (0.39) PIN1MAP4K4POLBGAAALDH1A1
SCHEMBL2837438 0.81 PIN1 (0.46) PIN1MAP4K4POLBGAAALDH1A1
SCHEMBL435486 0.81 PIN1 (0.39) PIN1MAP4K4POLBGAAALDH1A1
SCHEMBL435488 0.81 PIN1 (0.39) PIN1MAP4K4POLBGAAALDH1A1
SCHEMBL29518059 0.81 PIN1 (0.39) PIN1MAP4K4POLBGAAALDH1A1
SCHEMBL205372 0.81 PIN1 (0.46) PIN1MAP4K4POLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484970-B1 BENZAMIDES AND COMPOSITIONS COMPRISING BENZAMIDES FOR USE AS FUNGICIDES DU PONT (US) 2013-06-26 EP disclosed
EP-2260705-A2 Fungicidal compositions comprising a benzamide and a michondrial respiration inhibitor E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
EP-2260703-A2 Fungicidal compositions comprising a benzamide and fosetyl-aluminium E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
EP-2260704-A2 Fungicidal compositions comprising a benzamide and cymoxanil E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
EP-2258190-A2 Fungicidal compositions comprising a benzamide and a phthalimide E. I. du Pont de Nemours and Company (US) 2010-12-08 EP disclosed
US-20080020999-A1 Fungicidal Mixtures Of Amidinylphenyl Compounds KLAPPROTH MICHAEL C 2008-01-24 US disclosed
EP-1511380-B1 MIXTURES OF FUSED PYRIMIDINONES AND DINITROPHENOLIC COMPOUNDS USEFUL FOR CONTROLLING POWDERY MILDEWS DU PONT (US) 2006-10-18 EP disclosed
US-20050182025-A1 Amidinylphenyl compounds and their use as fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2005-08-18 US disclosed
US-20050164999-A1 Benzamides and compositions benzamides for use as fungicizide E. I. DU PONT DE NEMOURS AND COMPANY 2005-07-28 US disclosed
EP-1501789-A1 AMIDINYLPHENYL COMPOUNDS AND THEIR USE AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-02-02 EP disclosed
US-20050009889-A1 Synergistic fungicide compositions containing at least one n-(2-pyridinyl) 1-3-pyridinecarboxamide derivative and one or more further fungicides useful for controlling fungal plant diseases E.I. DU PONE DE NEMOURS AND COMPANY 2005-01-13 US disclosed
EP-1485355-A2 PYRIDINYL AMIDES AND COMPOSITIONS THEREOF FOR USE AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-12-15 EP disclosed
US-20040127361-A1 Pyridinyl fused bicyclic amides as fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2004-07-01 US disclosed
WO-2003079787-A9 SYNERGISTIC FUNGICIDE COMPOSITIONS CONTAINING AT LEAST ONE N-`(2-PYRIDINYL)METHYL!-3-PYRIDINECARBOXAMIDE DERIVATIVE AND ONE OR MORE FURTHER FUNGICIDES USEFUL FOR CONTROLLING FUNGAL PLANT DISEASES DU PONT (US) 2004-02-12 WO disclosed
WO-2003093224-A1 AMIDINYLPHENYL COMPOUNDS AND THEIR USE AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-11-13 WO disclosed
WO-2003080576-A2 PYRIDINYL AMIDES AND COMPOSITIONS THEREOF FOR USE AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-10-02 WO disclosed
EP-1310169-A2 Fungicidal mixture E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-14 EP disclosed
EP-0967869-B1 FUNGICIDAL MIXTURES DU PONT (US) 2003-04-16 EP disclosed
EP-0967869-A1 FUNGICIDAL MIXTURES E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 2000-01-05 EP disclosed
WO-1998033381-A1 FUNGICIDAL MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 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 (5 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-20050009889-A1 Synergistic fungicide compositions containing at least one n-(2-pyridinyl) 1-3-pyridinecarboxamide derivative and one or more further fungicides useful for controlling fungal plant diseases CYC1, ME3, CYP11B1 PIN1 1249/4885MAP4K4 3755/4885POLB 1664/4885
US-20040127361-A1 Pyridinyl fused bicyclic amides as fungicides CBR3, CBR1, CNPY2 PIN1 2048/4885MAP4K4 2704/4885POLB 3996/4885
US-20080020999-A1 Fungicidal Mixtures Of Amidinylphenyl Compounds MRM1, CYP4F8, CBR1 PIN1 2939/4885MAP4K4 3737/4885POLB 3246/4885
US-20050164999-A1 Benzamides and compositions benzamides for use as fungicizide CYC1, ME3, ME2 PIN1 1476/4885MAP4K4 3259/4885POLB 1571/4885
US-20050182025-A1 Amidinylphenyl compounds and their use as fungicides OR10J3, CBR3, C3AR1 PIN1 4210/4885MAP4K4 4054/4885POLB 4428/4885

“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.