SCHEMBL2283758

SCHEMBL2283758

COc1cc(OC)nc(CC(O)c2cccc(Cl)c2N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AOC3 Q16853 1/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSA P10619 1/20 0.34
OPRM1 P35372 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
SCHEMBL2289031 0.85 EDNRB (0.35) EDNRBEDNRACYP1A2SLC6A3CTSA
SCHEMBL2288308 0.83 NR4A2 (0.39) HSP90AA1CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL2292233 0.80 HSP90AA1 (0.37) HSP90AA1HSP90AB1KCNJ5KCNJ3CYP3A4
SCHEMBL5499243 0.77 CTSA (0.36) HSP90AA1HSP90AB1KCNJ5KCNJ3CTSA
SCHEMBL5499244 0.77 HSP90AA1 (0.35) HSP90AA1HSP90AB1KCNJ5KCNJ3CYP3A4
SCHEMBL2286974 0.76 HSP90AA1 (0.41) HSP90AA1HSP90AB1CYP3A4CYP2D6CYP1A2
SCHEMBL2286121 0.76 HSP90AA1 (0.38) HSP90AA1HSP90AB1CYP3A4CYP2D6CYP1A2
SCHEMBL5503157 0.75 HSP90AA1 (0.36) HSP90AA1HSP90AB1NPSR1CTSAOPRM1
SCHEMBL2286995 0.75 HSP90AA1 (0.37) HSP90AA1HSP90AB1CYP3A4CYP2D6CYP1A2
SCHEMBL2288462 0.74 PDE2A (0.42) HSP90AA1HSP90AB1NPSR1

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 EDNRB 2225/4885EDNRA 1567/4885HSP90AA1 3876/4885

“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.