SCHEMBL5726652

SCHEMBL5726652

Cn1nc(-c2c(F)cccc2F)nc1-c1sc(Br)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
PKLR P30613 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B2 P37059 1/20 0.32
PDE2A O00408 2/20 0.31
PDE10A Q9Y233 2/20 0.31
F2RL3 Q96RI0 3/20 0.30
MAPT P10636 2/20 0.30
RXFP1 Q9HBX9 1/20 0.30
GAA P10253 1/20 0.30
PTGES O14684 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6976971 0.87 GAA (0.35) PKMPKLRNR1H2NR1H3PDE2A
SCHEMBL5727655 0.82 NR1H2 (0.37) NR1H2NR1H3NPC1RAB9AHSD17B2
SCHEMBL5727601 0.81 PTGES (0.39) NR1H2NR1H3NPC1RAB9AHSD17B2
SCHEMBL7526323 0.81 PDE2A (0.34) NR1H2NR1H3NPC1RAB9APDE2A
SCHEMBL5726786 0.78 PTGES (0.37) NR1H2NR1H3NPC1RAB9AHSD17B2
SCHEMBL5726642 0.78 PDE2A (0.33) NR1H2NR1H3NPC1RAB9APDE2A
SCHEMBL6073454 0.78 PDE2A (0.33) NR1H2NR1H3NPC1RAB9APDE2A
SCHEMBL5727053 0.78 PDE2A (0.33) NR1H2NR1H3NPC1RAB9AHSD17B2
SCHEMBL5726494 0.77 HSD17B2 (0.40) NR1H2NR1H3NPC1RAB9AHSD17B2
SCHEMBL5727234 0.77 TDP2 (0.41) NR1H2NR1H3F2RL3MAPTPTGES

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 PKM 3399/4885PKLR 4510/4885NR1H2 4351/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 PKM 3386/4885PKLR 4519/4885NR1H2 4371/4885
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 PKM 3664/4885PKLR 4349/4885NR1H2 4335/4885

“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.