SCHEMBL2292898

SCHEMBL2292898

COc1cc(OC)nc(C(O)c2ccc(Cl)c(F)c2N)n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.31
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 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
KCNH2 Q12809 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2287015 0.86 CYP3A4 (0.31) EDNRBEDNRACYP3A4CYP2D6SLC6A2
SCHEMBL2288937 0.86 EDNRB (0.34) EDNRBEDNRA
SCHEMBL2287014 0.85 TDO2 (0.33) TDO2
SCHEMBL2286463 0.85 TDO2 (0.31) TDO2
SCHEMBL2290977 0.84 EDNRB (0.33) TDO2EDNRBEDNRAKCNH2
SCHEMBL2286367 0.82
SCHEMBL2292233 0.81 HSP90AA1 (0.37) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2287073 0.80 EDNRB (0.31) EDNRBEDNRA
SCHEMBL2289018 0.79 TDO2 (0.35) TDO2EDNRBEDNRA
SCHEMBL2289460 0.79 TDO2 (0.35) TDO2EDNRBEDNRACYP3A4CYP2D6

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 3 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

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 637/4885EDNRB 2225/4885EDNRA 1567/4885

“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.