SCHEMBL5727153

SCHEMBL5727153

Cc1c(-c2ccc(OC(F)(F)F)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.39
PTGES O14684 2/20 0.37
PTGS1 P23219 1/20 0.37
CASP3 P42574 1/20 0.36
SCN5A Q14524 3/20 0.35
PTGS2 P35354 1/20 0.34
ALOX5 P09917 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
CCR6 P51684 1/20 0.31
TYK2 P29597 1/20 0.30

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
SCHEMBL5727724 0.93 TDP2 (0.39) TDP2PTGESPTGS1CASP3SCN5A
SCHEMBL5727100 0.91 TDP2 (0.31) TDP2PTGESPTGS1CASP3SCN5A
SCHEMBL5726963 0.91 TDP2 (0.31) TDP2PTGESPTGS1SCN5APTGS2
SCHEMBL5727751 0.91 ALDH1A1 (0.31) TDP2PTGESPTGS1SCN5APTGS2
SCHEMBL5726775 0.90 KDM4E (0.32) TDP2PTGESPTGS1CASP3PTGS2
SCHEMBL5725984 0.89 TDP2 (0.39) TDP2PTGESPTGS1CASP3SCN5A
SCHEMBL5726859 0.88 KDM4E (0.41) TDP2PTGESPTGS1CASP3NPSR1
SCHEMBL5727056 0.87 SMN1; SMN2 (0.35) NPSR1KDM4E
SCHEMBL5727488 0.86 PTGES (0.39) TDP2PTGESPTGS1SCN5APTGS2
SCHEMBL6074574 0.86 HSD17B2 (0.36) TRPM8NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425278-B1 INSECTICIDAL 3-(2,6-DISUBSTITUTED PHENYL)-5- 4- OR 5-ARYLTHIEN-2- OR -3-YL|-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2006-12-20 EP disclosed
US-7056940-B2 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-2-yl]-1,2,4-triazoles DOW AGROSCIENCES LLC (US) 2006-06-06 US disclosed
US-20040171661-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-2-yl]-1,2,4-triazoles HEGDE VIDYADHAR BABU (US) 2004-09-02 US disclosed
US-6770665-B2 TRIAZOLE COMPOUNDS HAVING A 2,6-DISUBSTITUTED-PHENYL GROUP IN THE 3-POSITION, ARYLTHIEN-2- OR -3-YL IN THE 5-POSITION AND AN ALKYL GROUP IN THE 1-POSITION ARE EFFECTIVE IN CONTROLLING LEPIDOPTERA, COLEOPTERA, MITES AND OTHER SUCKING PESTS. DOW AGROSCIENCES LLC 2004-08-03 US disclosed
US-20030134748-A1 Insecticial 3-(2,6-disubstituted phenyl)-5-[4- or 5-arylthien-2- or -3-yl]-1,2,4-triazoles DOW AGROSCIENCES LLC 2003-07-17 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 (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-20040171661-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-2-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 TDP2 2312/4885PTGES 2008/4885PTGS1 2711/4885
US-20030134748-A1 Insecticial 3-(2,6-disubstituted phenyl)-5-[4- or 5-arylthien-2- or -3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 TDP2 2308/4885PTGES 2084/4885PTGS1 2709/4885

“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.