SCHEMBL2286465

SCHEMBL2286465

COc1cc(C(F)(F)F)nc(C(O)c2cccc(F)c2N)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP3A4 P08684 2/20 0.31
KCNH2 Q12809 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL2289444 0.89 EDNRB (0.39) EDNRBEDNRAKDM4ENPC1CYP1A2
SCHEMBL2292858 0.87 KDM4E (0.39) GAAKDM4EADORA2AADORA1L3MBTL1
SCHEMBL2287221 0.87 GAA (0.40) GAAEDNRBEDNRAKDM4EADORA2A
SCHEMBL2287340 0.86 GAA (0.39) GAAEDNRBEDNRAKDM4EADORA2A
SCHEMBL2284490 0.84 KMT2A (0.38) EDNRBEDNRAL3MBTL1KMT2ANPC1
SCHEMBL2285229 0.84 GAA (0.38) GAAEDNRBEDNRAKDM4EL3MBTL1
SCHEMBL13078652 0.81 CXCR2 (0.33) EDNRBEDNRANPC1CYP1A2RAB9A
SCHEMBL3741461 0.77 NPC1 (0.35) EDNRBEDNRANPC1CYP1A2RAB9A
SCHEMBL2288811 0.75 NPC1 (0.35) EDNRBEDNRAKDM4ENPC1CYP1A2
SCHEMBL2288861 0.75 NPC1 (0.35) EDNRBEDNRAKDM4EL3MBTL1NPC1

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 GAA 2292/4885EDNRB 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.