SCHEMBL2292858

SCHEMBL2292858

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ATM Q13315 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
IGF1R P08069 2/20 0.33
HIF1A Q16665 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL2292233 0.88 HSP90AA1 (0.37) NPSR1ALDH1A1CYP1A2HSP90AA1HSP90AB1
SCHEMBL2284534 0.87 KDM4E (0.39) KDM4ENPSR1ALDH1A1HPGDATM
SCHEMBL2292839 0.87 KDM4E (0.39) KDM4ENPSR1ALDH1A1HPGDATM
SCHEMBL2286465 0.87 GAA (0.39) KDM4EGAACYP1A2HIF1AADORA2A
SCHEMBL2292358 0.84 KDM4E (0.38) KDM4ENPSR1ALDH1A1HPGDATM
SCHEMBL2291626 0.83 HSP90AA1 (0.41) ALDH1A1LMNAHTTKMT2AHSP90AA1
SCHEMBL3752163 0.76 ITGB1 (0.33) ALDH1A1GAACYP1A2CYP2C19LMNA
SCHEMBL2287340 0.76 GAA (0.39) KDM4ENPSR1ALDH1A1HPGDATM
SCHEMBL2286995 0.75 HSP90AA1 (0.37) KDM4ENPSR1ALDH1A1HPGDCYP1A2
SCHEMBL2289444 0.75 EDNRB (0.39) KDM4EALDH1A1HPGDCYP1A2

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 KDM4E 1374/4885NPSR1 197/4885ALDH1A1 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.