SCHEMBL2285461

SCHEMBL2285461

COc1cc(C(F)(F)F)nc(Cc2cccc(F)c2N)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
PDE2A O00408 1/20 0.34
BLM P54132 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 2/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR6 P50406 1/20 0.33
ADORA2A P29274 2/20 0.32
KMT2A Q03164 1/20 0.32
ADORA1 P30542 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2283366 0.88 PDE2A (0.39) KDM4EPDE2ACYP1A2HTR6ADORA2A
SCHEMBL2283849 0.87 KDM4E (0.41) GAAKDM4EL3MBTL1PDE2ABLM
SCHEMBL2292191 0.84 SLC6A3 (0.41) KDM4EL3MBTL1PDE2ACYP1A2LMNA
SCHEMBL5499313 0.77 NPC1 (0.35) KDM4EPDE2ACYP1A2ADORA2AADORA1
SCHEMBL2289349 0.76 HTR6 (0.38) MAPTCYP1A2LMNAHTR6ADORA2A
SCHEMBL3775535 0.73 ALDH1A1 (0.43) GAAKDM4EL3MBTL1PDE2AMAPT
SCHEMBL2290194 0.73 HTR6 (0.39) KDM4EL3MBTL1LMNAHTR6ADORA2A
SCHEMBL3736038 0.72 PDE2A (0.39) KDM4EL3MBTL1PDE2AHTR6ADORA2A
SCHEMBL2285267 0.72 PDE2A (0.36) GAAL3MBTL1PDE2AMAPTLMNA
SCHEMBL2288462 0.72 PDE2A (0.42) KDM4EPDE2AHSD17B10NPSR1HTR6

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 2292/4885KDM4E 1374/4885L3MBTL1 665/4885

“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.