SCHEMBL2289592

SCHEMBL2289592

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDO2 P48775 3/20 0.36
PDE2A O00408 1/20 0.35
IDO1 P14902 1/20 0.33
MPO P05164 1/20 0.33
IDH1 O75874 1/20 0.32
LCK P06239 1/20 0.32
BTK Q06187 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
DPP4 P27487 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 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 0.89 MEN1 (0.37) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL2285990 0.88 PDE2A (0.38) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL2286803 0.88 PDE2A (0.38) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL2288933 0.78 PDE2A (0.35) KDM4EMAPTTDO2PDE2AMPO
SCHEMBL2286210 0.78 PDCD1LG2 (0.37) MAPTTDO2PDE2AIDO1MPO
SCHEMBL2291721 0.76 PDCD1LG2 (0.33) TDO2PDE2AMPOIDH1
SCHEMBL2285267 0.74 PDE2A (0.36) MAPTTDO2PDE2AHTTSMN1; SMN2
SCHEMBL2283366 0.74 PDE2A (0.39) KDM4EPDE2AMPOADORA2AADORA2B
SCHEMBL2283689 0.74 PDE2A (0.36) KDM4EMAPTPDE2AIDH1HTT
SCHEMBL2287303 0.73 PDE2A (0.33) KDM4ETDO2PDE2ANPC1ALDH1A1

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 MEN1 2408/4885KMT2A 1322/4885KDM4E 1374/4885

“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.