SCHEMBL5727072

SCHEMBL5727072

Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)csc1-c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
NPSR1 Q6W5P4 3/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGES O14684 8/20 0.36
PTGS1 P23219 1/20 0.36
MAT2A P31153 3/20 0.35
MAPT P10636 2/20 0.33
MPL P40238 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL5727713 0.95 HSD11B1 (0.44) HSD11B1NPSR1KDM4EPTGESPTGS1
SCHEMBL5727040 0.93 HSD11B1 (0.37) HSD11B1NPSR1KDM4EPTGESPTGS1
SCHEMBL5727182 0.89 PTGES (0.41) HSD11B1NPSR1KDM4EPTGESPTGS1
SCHEMBL5726913 0.89 KDM4E (0.41) HSD11B1NPSR1KDM4EPTGESPTGS1
SCHEMBL5727614 0.89 HSD11B1 (0.40) HSD11B1PTGESPTGS1PDE2APDE10A
SCHEMBL5726994 0.86 NOTUM (0.31) HSD11B1NPSR1KDM4EMAPTPDE2A
SCHEMBL5727314 0.85 P2RX7 (0.36) HSD11B1KDM4EPTGESPTGS1MAPT
SCHEMBL5726771 0.85 HSD11B1 (0.36) HSD11B1PTGESPTGS1PDE2APDE10A
SCHEMBL5726621 0.85 KDM4E (0.43) HSD11B1NPSR1KDM4EPTGESPTGS1
SCHEMBL5726859 0.85 KDM4E (0.41) HSD11B1NPSR1KDM4EPTGESPTGS1

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 HSD11B1 3815/4885NPSR1 3310/4885KDM4E 119/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 HSD11B1 3764/4885NPSR1 3270/4885KDM4E 135/4885
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 HSD11B1 3860/4885NPSR1 3160/4885KDM4E 239/4885

“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.