SCHEMBL5727751

SCHEMBL5727751

Cc1c(-c2ccc(OC(F)(F)C(F)C(F)(F)F)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TDP2 O95551 1/20 0.31
PTGES O14684 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL5727714 0.93 ALDH1A1 (0.31) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL5726963 0.93 TDP2 (0.31) KDM4ENPSR1TDP2PTGESPTGS1
SCHEMBL5726775 0.93 KDM4E (0.32) KDM4ENPSR1TDP2PTGESPTGS1
SCHEMBL5727100 0.92 TDP2 (0.31) KDM4ENPSR1TDP2PTGESPTGS1
SCHEMBL5727153 0.91 TDP2 (0.39) KDM4ENPSR1TDP2PTGESPTGS1
SCHEMBL5727184 0.88 TDP2 (0.32) KDM4EMAPTNPSR1TDP2PTGES
SCHEMBL5726059 0.87 TDP2 (0.31) KDM4ENPSR1TDP2PTGESPTGS1
SCHEMBL5728380 0.86 KDM4E (0.32) KDM4ENPSR1TDP2PTGESPTGS1
SCHEMBL5729024 0.86 TDP2 (0.31) KDM4EMAPTNPSR1TDP2PTGES
SCHEMBL5726859 0.84 KDM4E (0.41) ALDH1A1KDM4EMAPTNPSR1TDP2

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 ALDH1A1 3478/4885KDM4E 119/4885MEN1 4227/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 ALDH1A1 3448/4885KDM4E 135/4885MEN1 4214/4885
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 ALDH1A1 3324/4885KDM4E 239/4885MEN1 3981/4885

“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.