SCHEMBL5727752

SCHEMBL5727752

CCOc1cccc(-c2scc(-c3nc(-c4c(F)cccc4Cl)nn3C)c2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
CREBBP Q92793 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
S1PR1 P21453 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NR3C1 P04150 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 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
SCHEMBL5727719 0.91 SMN1; SMN2 (0.35) MAPTKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5727349 0.89 PTGES (0.43) MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL6074937 0.87 PTGS2 (0.34) MAPTKMT2AMEN1HTTKDM4E
SCHEMBL5727056 0.86 SMN1; SMN2 (0.35) MAPTKMT2AMEN1TSHRHTT
SCHEMBL5727084 0.85 EIF4E (0.35) CYP3A4CYP2C9
SCHEMBL5728871 0.85 EIF4E (0.41) MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL5727674 0.85 NR1H2 (0.36) CYP3A4CYP2C9ALDH1A1KDM4EHCRTR1
SCHEMBL5727672 0.85 SMN1; SMN2 (0.36) MAPTKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5726518 0.84 EIF4E (0.35) MAPTCYP2C9KMT2AMEN1TSHR
SCHEMBL5726766 0.84 BACE1 (0.40) MAPTCYP2C19KMT2AMEN1S1PR1

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 MAPT 2605/4885CYP3A4 696/4885CYP2C9 1172/4885
US-20040072887-A1 Insecticidal 3-(2,6-disubstituted phenyl)-5-[5-arylthien-3-yl]-1,2,4-triazoles L3MBTL3, API5, L3MBTL4 MAPT 2626/4885CYP3A4 679/4885CYP2C9 1141/4885
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 MAPT 2176/4885CYP3A4 632/4885CYP2C9 1463/4885

“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.