SCHEMBL2287303

SCHEMBL2287303

COc1cc(OC)nc(Cc2cc(F)cc(Cl)c2N)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
GAA P10253 2/20 0.32
PGK1 P00558 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
TDO2 P48775 1/20 0.30
GSK3B P49841 1/20 0.30
MAP4K2 Q12851 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
SCHEMBL2284822 0.85 PDE2A (0.34) PDE2AGAA
SCHEMBL2286692 0.85 PDE2A (0.34) PDE2AGAAKDM4EALDH1A1HSD17B10
SCHEMBL2291721 0.80 PDCD1LG2 (0.33) PDE2ATDO2
SCHEMBL2288933 0.79 PDE2A (0.35) PDE2AGAAKDM4EALDH1A1HSD17B10
SCHEMBL2288462 0.78 PDE2A (0.42) PDE2AKDM4EALDH1A1HSD17B10NPC1
SCHEMBL2286210 0.76 PDCD1LG2 (0.37) PDE2AGAAALDH1A1NPC1TDO2
SCHEMBL2283689 0.75 PDE2A (0.36) PDE2AGAAKDM4EALDH1A1HSD17B10
SCHEMBL2287239 0.73 MEN1 (0.37) PDE2AKDM4EALDH1A1NPC1HSP90AA1
SCHEMBL2289592 0.73 MEN1 (0.37) PDE2AKDM4EALDH1A1NPC1TDO2
SCHEMBL2285267 0.72 PDE2A (0.36) PDE2AGAAALDH1A1NPC1TDO2

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 2578/4885GAA 2292/4885PGK1 4352/4885

“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.