SCHEMBL3165293

SCHEMBL3165293

Cc1noc(C)c1CSC1=NOC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.38
DAO P14920 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL3158785 0.86 BRD4 (0.33) BRD4ALDH1A1
SCHEMBL3161467 0.85 BRD4 (0.33) BRD4ALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL3384287 0.82 BRD4 (0.31) BRD4
SCHEMBL28578824 0.74 MPO (0.36) ALDH1A1SMN1; SMN2
SCHEMBL3382248 0.73
SCHEMBL28727859 0.71
SCHEMBL28727812 0.69
SCHEMBL22911700 0.69
SCHEMBL3162861 0.67 CHRM1 (0.33) SMN1; SMN2LMNA
SCHEMBL20870952 0.66 DAO (0.44) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
EP-1789401-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2010-03-03 EP disclosed
EP-1789401-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2010-03-03 EP disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
EP-1789401-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-05-30 EP disclosed
WO-2006024820-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-03-09 WO 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 (1 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-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides MTX1, MTX2, CHRM1 BRD4 528/4885ALDH1A1 135/4885MAPT 4493/4885

“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.