SCHEMBL5727700

SCHEMBL5727700

Cn1nc(-c2c(F)cccc2F)nc1-c1csc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.40
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B2 P37059 2/20 0.37
MAT2A P31153 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HSD17B1 P14061 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
MAPT P10636 3/20 0.34

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
SCHEMBL5726585 0.93 KDM4E (0.45) TDP2SIGMAR1KDM4ENPSR1HSD17B2
SCHEMBL5727428 0.86 TDP2 (0.43) TDP2NPSR1HSD17B2NR1H2NR1H3
SCHEMBL5727209 0.86 MAPT (0.42) TDP2KDM4ENPSR1MAT2ANR1H2
SCHEMBL4611868 0.84 HSD17B2 (0.48) TDP2SIGMAR1KDM4ENPSR1HSD17B2
SCHEMBL5726584 0.80 TDP2 (0.40) TDP2KDM4ENPSR1NR1H2NR1H3
SCHEMBL4611925 0.77 PTGES (0.46) TDP2SIGMAR1KDM4ENPSR1HSD17B2
SCHEMBL5728616 0.76 KDM4E (0.43) TDP2SIGMAR1KDM4ENPSR1MAT2A
SCHEMBL5727578 0.76 SMN1; SMN2 (0.38) TDP2KDM4ENR1H2NR1H3NPC1
SCHEMBL5726302 0.75 KDM4E (0.42) TDP2SIGMAR1KDM4ENPSR1MAT2A
SCHEMBL5727760 0.75 KDM4E (0.42) TDP2SIGMAR1KDM4ENPSR1MAT2A

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 2312/4885SIGMAR1 3563/4885KDM4E 119/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 TDP2 2641/4885SIGMAR1 3551/4885KDM4E 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 TDP2 2308/4885SIGMAR1 3553/4885KDM4E 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.