SCHEMBL2289404

SCHEMBL2289404

COc1cc(OC)nc(C(Cl)c2cc(Cl)ccc2N)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
IDH1 O75874 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ABL1 P00519 1/20 0.33
NR4A2 P43354 1/20 0.33
RECQL P46063 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
SCHEMBL2285496 0.88 CYP3A4 (0.36) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL2286494 0.85 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL2284495 0.84 EDNRB (0.33) ALDH1A1EDNRBEDNRAHSP90AA1HSP90AB1
SCHEMBL2285306 0.82 GAA (0.36) ALDH1A1SMN1; SMN2L3MBTL1GAANPC1
SCHEMBL2285463 0.81 HSP90AA1 (0.39) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL2286356 0.79 GSK3A (0.33) SMN1; SMN2HSP90AA1HSP90AB1GSK3AGSK3B
SCHEMBL5502816 0.78 LMNA (0.31) SMN1; SMN2
SCHEMBL2282090 0.77 TDO2 (0.32)
SCHEMBL2285877 0.76 TDO2 (0.33) ALDH1A1EDNRBEDNRAL3MBTL1NPC1
SCHEMBL2286121 0.75 HSP90AA1 (0.38) ALDH1A1CYP3A4SMN1; SMN2KDM4EHSP90AA1

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 ALDH1A1 1037/4885CYP3A4 98/4885TSHR 800/4885

“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.