SCHEMBL2286803

SCHEMBL2286803

COc1cc(OC)nc(Cc2c(F)ccc(F)c2N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.38
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDO2 P48775 1/20 0.32
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
GAA P10253 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
HPGD P15428 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
SCHEMBL2287239 0.88 MEN1 (0.37) PDE2AADORA2AALDH1A1NPC1RAB9A
SCHEMBL2289592 0.88 MEN1 (0.37) PDE2AADORA2AALDH1A1L3MBTL1NPC1
SCHEMBL2283366 0.79 PDE2A (0.39) PDE2AADORA2AALDH1A1NPC1RAB9A
SCHEMBL2285267 0.79 PDE2A (0.36) PDE2AADORA2AALDH1A1L3MBTL1NPC1
SCHEMBL2286210 0.77 PDCD1LG2 (0.37) PDE2AALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL2285990 0.75 PDE2A (0.38) PDE2AALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL2291721 0.75 PDCD1LG2 (0.33) PDE2ATDO2
SCHEMBL2284822 0.74 PDE2A (0.34) PDE2AMAPTLMNASMN1; SMN2GAA
SCHEMBL5499313 0.72 NPC1 (0.35) PDE2AADORA2AALDH1A1NPC1RAB9A
SCHEMBL2292191 0.72 SLC6A3 (0.41) PDE2AADORA2AALDH1A1L3MBTL1NPC1

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 PDE2A 2578/4885ADORA2A 3855/4885ALDH1A1 1037/4885

“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.