SCHEMBL5726653

SCHEMBL5726653

CCOc1ccc(-c2sc(-c3nc(-c4c(F)cccc4Cl)nn3C)c(Cl)c2Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HIF1A Q16665 1/20 0.33
ACHE P22303 2/20 0.32
POLB P06746 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALPL P05186 1/20 0.31

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
SCHEMBL5726719 0.88 TDP2 (0.38) ACHEKDM4EALPIPTGES
SCHEMBL5726599 0.84 MEN1 (0.37) SMN1; SMN2MAPTALDH1A1TSHRHSD17B10
SCHEMBL5727608 0.84 KDM4E (0.41) SMN1; SMN2MAPTALDH1A1KDM4EPTGES
SCHEMBL5727661 0.84 SMN1; SMN2 (0.35) SMN1; SMN2MAPTALDH1A1TSHRHSD17B10
SCHEMBL5727672 0.83 SMN1; SMN2 (0.36) SMN1; SMN2MAPTALDH1A1TSHRHSD17B10
SCHEMBL5727719 0.82 SMN1; SMN2 (0.35) SMN1; SMN2MAPTALDH1A1TSHRHSD17B10
SCHEMBL5727056 0.81 SMN1; SMN2 (0.35) SMN1; SMN2MAPTALDH1A1TSHRHSD17B10
SCHEMBL5726642 0.81 PDE2A (0.33) SMN1; SMN2MAPTHSD17B10NPC1RAB9A
SCHEMBL5727639 0.81 MEN1 (0.38) SMN1; SMN2MAPTALDH1A1TSHRHSD17B10
SCHEMBL5727570 0.80 POLB (0.36) SMN1; SMN2MAPTALDH1A1TSHRHSD17B10

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 SMN1; SMN2 1759/4885MAPT 2605/4885ALDH1A1 3478/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 SMN1; SMN2 1928/4885MAPT 2626/4885ALDH1A1 3448/4885
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 SMN1; SMN2 2275/4885MAPT 2176/4885ALDH1A1 3324/4885

“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.