SCHEMBL2287015

SCHEMBL2287015

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL2292898 0.86 TDO2 (0.31) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2290977 0.86 EDNRB (0.33) KCNH2EDNRBEDNRAL3MBTL1
SCHEMBL2288906 0.84 NPC1 (0.31) NPC1ALDH1A1RAB9AL3MBTL1HSP90AA1
SCHEMBL5505286 0.84 GAA (0.31) ALDH1A1
SCHEMBL2292233 0.83 HSP90AA1 (0.37) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2288804 0.83 TDO2 (0.32) NPC1ALDH1A1RAB9AL3MBTL1HSP90AA1
SCHEMBL2289662 0.81
SCHEMBL2286568 0.80 CYP3A4 (0.32) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2283626 0.79 EDNRB (0.31) NPSR1ALDH1A1EDNRBEDNRAHSP90AA1
SCHEMBL2288937 0.78 EDNRB (0.34) NPC1ALDH1A1RAB9AEDNRBEDNRA

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 CYP3A4 98/4885CYP2D6 169/4885SLC6A2 4395/4885

“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.