SCHEMBL2205706

SCHEMBL2205706

O=C(Cc1ccccn1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
CES1 P23141 1/20 0.53
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
PTPRA P18433 1/20 0.46
POLB P06746 1/20 0.45
FDPS P14324 1/20 0.45
IDO1 P14902 1/20 0.44
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 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
Trifluoroacetic Acid SCHEMBL27542700 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL13320414 0.81 CYP1A2 (0.50) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL28018657 0.80 CYP1A2 (0.49) RAB9ANPC1SMN1; SMN2PTPRAPOLB
Pyridine Acetamide SCHEMBL3716648 0.80 RAB9A (0.49) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL13343107 0.79 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL2142240 0.78 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL21298 0.76 PTPRA (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL29676689 0.76 PTPRA (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB
SCHEMBL6447477 0.76 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB
Benzene SCHEMBL11747977 0.76 PTPRA (0.56) RAB9ANPC1SMN1; SMN2PTPRAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232019-B Synthesis method of 3-acetamido benzotrifluoride compound 闽江学院 2023-10-27 CN disclosed
EP-3319943-B1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-06-26 EP disclosed
US-10239859-B2 Nitrogen-containing heterocycles as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-03-26 US disclosed
US-20180201600-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3319943-A1 NITROGENOUS HETEROCYCLES AS A PESTICIDE Bayer CropScience Aktiengesellschaft (DE) 2018-05-16 EP disclosed
EP-2830421-B1 N-SUBSTITUTED PYRIDINYLIDENE THIOCARBONYL COMPOUNDS AND THEIR USE FOR COMBATING ANIMAL PESTS BASF SE (DE) 2017-03-01 EP disclosed
US-9334238-B2 N-substituted pyridinylidenes for combating animal pests BASF SE (DE) 2016-05-10 US disclosed
US-20150057280-A1 N-substituted pyridinylidene compounds and derivatives for combating animal pests BASF SE (DE) 2015-02-26 US disclosed
EP-1670772-B1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2011-08-17 EP disclosed
EP-1670772-B1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2011-08-17 EP disclosed
US-7982047-B2 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2011-07-19 US disclosed
US-7982047-B2 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2011-07-19 US disclosed
US-7982047-B2 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2011-07-19 US disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US disclosed
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 EP disclosed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 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 (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-20180201600-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES DDT, DNPH1, PTMS RAB9A 1535/4885CES1 3223/4885NPC1 4373/4885
US-10239859-B2 Nitrogen-containing heterocycles as pesticides DDT, DNPH1, PTMS RAB9A 1535/4885CES1 3223/4885NPC1 4373/4885
US-20150057280-A1 N-substituted pyridinylidene compounds and derivatives for combating animal pests PRDX1, PRDX4, PRDX2 RAB9A 1231/4885CES1 1361/4885NPC1 3058/4885
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity DDT, CYP1B1, CYP51A1 RAB9A 1773/4885CES1 96/4885NPC1 4594/4885

“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.