SCHEMBL5728616

SCHEMBL5728616

Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGES O14684 8/20 0.40
TDP2 O95551 1/20 0.37
PTGS1 P23219 1/20 0.36
HSD11B1 P28845 1/20 0.35
MAT2A P31153 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
JAK2 O60674 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL5727709 0.93 KDM4E (0.42) KDM4ENPSR1PTGESTDP2PTGS1
SCHEMBL5726786 0.90 PTGES (0.37) PTGESMAPTSMN1; SMN2NR1H2NR1H3
SCHEMBL5727601 0.88 PTGES (0.39) PTGESNR1H2NR1H3
SCHEMBL5726494 0.88 HSD17B2 (0.40) KDM4EMAPTNR1H2NR1H3
SCHEMBL5728721 0.87 TDP2 (0.40) NPSR1PTGESTDP2PTGS1MAPT
SCHEMBL5726302 0.87 KDM4E (0.42) KDM4ENPSR1PTGESTDP2PTGS1
SCHEMBL5727760 0.87 KDM4E (0.42) KDM4ENPSR1PTGESTDP2PTGS1
SCHEMBL5728382 0.86 NR1H2 (0.33) PTGESNR1H2NR1H3
SCHEMBL5727655 0.85 NR1H2 (0.37) PTGESTDP2MAPTALDH1A1SMN1; SMN2
SCHEMBL5726585 0.84 KDM4E (0.45) KDM4ENPSR1PTGESTDP2PTGS1

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 KDM4E 119/4885NPSR1 3310/4885PTGES 2008/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 KDM4E 135/4885NPSR1 3270/4885PTGES 2070/4885
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 KDM4E 239/4885NPSR1 3160/4885PTGES 2084/4885

“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.