SCHEMBL2289460

SCHEMBL2289460

COc1cc(OC)nc(C(O)c2c(F)ccc(Cl)c2N)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.35
IDO1 P14902 1/20 0.32
EDNRB P24530 3/20 0.32
EDNRA P25101 3/20 0.32
MET P08581 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
FYN P06241 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2289018 0.90 TDO2 (0.35) TDO2IDO1EDNRBEDNRAMET
SCHEMBL2286568 0.89 CYP3A4 (0.32) EDNRBEDNRAMEN1KMT2ACYP3A4
SCHEMBL2288610 0.89 EDNRB (0.33) TDO2EDNRBEDNRAALDH1A1SMN1; SMN2
SCHEMBL2291939 0.85 TDO2 (0.35) TDO2IDO1EDNRBEDNRAMET
SCHEMBL2286162 0.85 TDO2 (0.38) TDO2IDO1EDNRBEDNRAMET
SCHEMBL2292162 0.82 TDO2 (0.34) TDO2IDO1MET
SCHEMBL2290977 0.79 EDNRB (0.33) TDO2IDO1EDNRBEDNRAKCNH2
SCHEMBL2292898 0.79 TDO2 (0.31) TDO2EDNRBEDNRACYP3A4CYP2D6
SCHEMBL2289577 0.78 TDO2 (0.33) TDO2IDO1ALDH1A1SMN1; SMN2
SCHEMBL2288948 0.77 TDO2 (0.38) TDO2IDO1METFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773124-B1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2012-08-22 EP disclosed
US-8008484-B2 Use of sulfonanilides as agricultural and horticultural fungicide BAYER CROPSCIENCE AG (DE) 2011-08-30 US disclosed
US-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide BAYER CROPSCIENCE AG (DE) 2007-09-20 US disclosed
EP-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 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-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide CBR3, CYP51A1, CBR1 TDO2 637/4885IDO1 559/4885EDNRB 2225/4885

“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.