SCHEMBL6775894

SCHEMBL6775894

FC(F)(F)c1ccncc1-c1nc(CCl)no1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.40
PLAT P00750 1/20 0.37
S1PR3 Q99500 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DHODH Q02127 1/20 0.35
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL6784873 0.86 S1PR1 (0.40) S1PR1PLATS1PR3L3MBTL1DHODH
SCHEMBL7092155 0.86 NOTUM (0.44) S1PR1PLATS1PR3L3MBTL1DHODH
SCHEMBL6782045 0.83 AKR1B1 (0.48) S1PR1PLATS1PR3DHODHAKR1B1
SCHEMBL14606351 0.83 S1PR1 (0.40) S1PR1PLATS1PR3L3MBTL1DHODH
SCHEMBL9201692 0.81 AKR1B1 (0.48) S1PR1L3MBTL1AKR1B1TDP1
SCHEMBL6781208 0.81 S1PR1 (0.39) S1PR1PLATS1PR3L3MBTL1DHODH
SCHEMBL6841107 0.79 PLAT (0.37) S1PR1PLATS1PR3L3MBTL1DHODH
SCHEMBL6775708 0.79 S1PR1 (0.35) S1PR1PLATS1PR3L3MBTL1DHODH
SCHEMBL15236975 0.78 S1PR1 (0.48) S1PR1PLATS1PR3L3MBTL1ALDH1A1
SCHEMBL6837379 0.78 PLAT (0.37) S1PR1PLATS1PR3DHODHAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699853-B2 PROTECTING USEFUL PLANTS AGAINST THE UNDESIRABLE ACTION OF HARMFUL INSECTS, ACARIDS AND NEMATODES, HOECHST SCHERING AGREVO GMBH (DE) 2004-03-02 US disclosed
US-20040009992-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides AVENTIS CROPSCIENCE GMBH (DE) 2004-01-15 US disclosed
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides HARMSEN SVEN (DE) 2003-08-28 US disclosed
EP-1244658-A2 AZOLYL-ALKYL AZOLE DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2002-10-02 EP disclosed
US-20020010098-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides AVENTIS CROPSCIENCE GMBH (DE) 2002-01-24 US disclosed
EP-1140922-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-10-10 EP disclosed
WO-2001047918-A2 AZOLYALKYL-OXA(DI)AZOLYL PYRI(MI)DINE DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-07-05 WO disclosed
WO-2000035913-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 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 (3 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-20020010098-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides ALPI, DDT, AADAC S1PR1 3509/4885PLAT 2603/4885S1PR3 3246/4885
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HCK, HPD S1PR1 2943/4885PLAT 604/4885S1PR3 1664/4885
US-20040009992-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides ALPI, DDT, AADAC S1PR1 3509/4885PLAT 2603/4885S1PR3 3246/4885

“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.