SCHEMBL5726682

SCHEMBL5726682

Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)csc1-c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PTGS2 P35354 4/20 0.33
KDM4C Q9H3R0 1/20 0.33
EIF4E P06730 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
GRM5 P41594 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPK14 Q16539 2/20 0.32
POLB P06746 1/20 0.32
ABL1 P00519 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
SCHEMBL5727274 0.94 TP53 (0.35) NR1H2NR1H3PTGS2EIF4EKMT2A
SCHEMBL5727213 0.94 NR1H2 (0.42) NR1H2NR1H3PTGS2EIF4EKMT2A
SCHEMBL5727617 0.92 HSD17B2 (0.36) NR1H2NR1H3PTGS2KDM4CEIF4E
SCHEMBL5728377 0.91 PTGES (0.33) NR1H2NR1H3PTGS2EIF4EKMT2A
SCHEMBL5727077 0.90 KMT2A (0.37) KDM4CKMT2AMAPK14ALDH1A1SMN1; SMN2
SCHEMBL5726878 0.90 PSEN1 (0.33) NR1H2NR1H3PTGS2EIF4EPSEN1
SCHEMBL5726913 0.90 KDM4E (0.41) NR1H2NR1H3GRM5HSD11B1PTGS1
SCHEMBL5728871 0.90 EIF4E (0.41) NR1H2NR1H3EIF4EGRM5HSD11B1
SCHEMBL5727084 0.90 EIF4E (0.35) NR1H2NR1H3EIF4EMAPK14ABL1
SCHEMBL5727674 0.90 NR1H2 (0.36) NR1H2NR1H3EIF4EGRM5HCRTR1

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 NR1H2 4351/4885NR1H3 4270/4885PTGS2 2153/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 NR1H2 4371/4885NR1H3 4250/4885PTGS2 2526/4885
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 NR1H2 4335/4885NR1H3 4245/4885PTGS2 2252/4885

“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.