SCHEMBL6074937

SCHEMBL6074937

Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)csc1-c1cccc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ORAI1 Q96D31 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
PTGER1 P34995 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AMY1A P0DUB6 1/20 0.32
HSD17B2 P37059 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
SCHEMBL5727084 0.90 EIF4E (0.35) NR1H2NR1H3ORAI1HSD17B2EIF4E
SCHEMBL5727674 0.90 NR1H2 (0.36) NR1H2NR1H3ORAI1HCRTR1HCRTR2
SCHEMBL5728871 0.90 EIF4E (0.41) NR1H2NR1H3ORAI1MAPTHSD17B2
SCHEMBL5726682 0.90 NR1H2 (0.34) PTGS2NR1H2NR1H3HCRTR1HCRTR2
SCHEMBL5726518 0.89 EIF4E (0.35) PTGS2HTTNR1H2NR1H3ORAI1
SCHEMBL5727314 0.89 P2RX7 (0.36) PTGS2KDM4EMEN1MAPTKMT2A
SCHEMBL5727182 0.89 PTGES (0.41) HTTPAX8PIP4K2CKDM4EMAPT
SCHEMBL5727274 0.88 TP53 (0.35) PTGS2NR1H2NR1H3ORAI1MEN1
SCHEMBL5727213 0.88 NR1H2 (0.42) PTGS2HTTNR1H2NR1H3KDM4E
SCHEMBL5727752 0.87 MAPT (0.37) PTGS2HTTHCRTR1HCRTR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGS2 2153/4885MITF 1198/4885HTT 1616/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 PTGS2 2526/4885MITF 1177/4885HTT 1641/4885
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 PTGS2 2252/4885MITF 1433/4885HTT 1461/4885

“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.