SCHEMBL2285496

SCHEMBL2285496

COc1cc(OC)nc(C(Cl)c2ccc(Cl)cc2N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
ABL1 P00519 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
IDH1 O75874 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL2285463 0.92 HSP90AA1 (0.39) CYP3A4ABL1ALDH1A1TSHRALOX15
SCHEMBL2289404 0.88 ALDH1A1 (0.35) CYP3A4ABL1ALDH1A1TSHRALOX15
SCHEMBL2289151 0.84 EDNRB (0.33) ALDH1A1EDNRBEDNRAGAANPC1
SCHEMBL2285306 0.82 GAA (0.36) ALDH1A1SMN1; SMN2NPSR1LMNAGAA
SCHEMBL2289762 0.82 ALDH1A1 (0.33) CYP3A4ABL1ALDH1A1TSHRALOX15
SCHEMBL2285877 0.79 TDO2 (0.33) ALDH1A1EDNRBEDNRANPC1RAB9A
SCHEMBL2288906 0.78 NPC1 (0.31) ALDH1A1HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL2283825 0.78 GAA (0.32) SMN1; SMN2LMNAHSP90AA1HSP90AB1GAA
SCHEMBL5502816 0.78 LMNA (0.31) SMN1; SMN2LMNA
SCHEMBL2286531 0.77 TDO2 (0.32) ALDH1A1NPC1RAB9AL3MBTL1

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 3 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

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 CYP3A4 98/4885ABL1 1360/4885ALDH1A1 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.