SCHEMBL5727151

SCHEMBL5727151

Cc1cc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.39
PTGES O14684 2/20 0.38
PTGS1 P23219 1/20 0.38
SCN5A Q14524 2/20 0.35
PTGS2 P35354 1/20 0.35
CASP3 P42574 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
ALPI P09923 1/20 0.33
CHRNA7 P36544 1/20 0.33
CCR6 P51684 1/20 0.32
KCNH2 Q12809 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
SLC34A1 Q06495 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5728721 0.94 TDP2 (0.40) TDP2PTGESPTGS1SCN5APTGS2
SCHEMBL5726801 0.91 TDP2 (0.32) TDP2PTGESPTGS1SCN5APTGS2
SCHEMBL6074135 0.90 TDP2 (0.31) TDP2PTGESPTGS1SCN5APTGS2
SCHEMBL5727753 0.90 ALDH1A1 (0.32) TDP2PTGESPTGS1SCN5APTGS2
SCHEMBL5727234 0.90 TDP2 (0.41) TDP2PTGESPTGS1SCN5APTGS2
SCHEMBL5727709 0.88 KDM4E (0.42) TDP2PTGESPTGS1MAPTKDM4E
SCHEMBL5726912 0.88 NR1H2 (0.36) PTGESCASP3CHRNA7KCNH2MAPT
SCHEMBL5727785 0.87 PTGES (0.40) TDP2PTGESPTGS1SCN5APTGS2
SCHEMBL5727460 0.87 PTGES (0.40) TDP2PTGESPTGS1SCN5APTGS2
SCHEMBL5726111 0.85 PTGES (0.39) TDP2PTGESPTGS1SCN5APTGS2

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
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-6949576-B2 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles DOW AGROSCIENCES LLC (US) 2005-09-27 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-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles HEGDE VIDYADHAR BABU (US) 2004-04-15 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 (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-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-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 TDP2 2641/4885PTGES 2070/4885PTGS1 2743/4885
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.