SCHEMBL2286359

SCHEMBL2286359

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 2/20 0.36
NR4A2 P43354 1/20 0.36
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
ABL1 P00519 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2289762 0.92 ALDH1A1 (0.33) ALDH1A1HTTHSP90AA1HSP90AB1NR4A2
SCHEMBL2289403 0.85 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL2285463 0.84 HSP90AA1 (0.39) ALDH1A1HTTHSP90AA1HSP90AB1NR4A2
SCHEMBL2283614 0.82 HSP90AA1 (0.38) ALDH1A1HTTHSP90AA1HSP90AB1NR4A2
SCHEMBL2286008 0.82 HSP90AA1 (0.38) ALDH1A1HTTHSP90AA1HSP90AB1NR4A2
SCHEMBL2286494 0.82 ALDH1A1 (0.33) ALDH1A1HSP90AA1HSP90AB1NR4A2TSHR
SCHEMBL2284252 0.82 MAT2A (0.35) ALDH1A1HTTHSP90AA1HSP90AB1NR4A2
SCHEMBL2282979 0.80 HSP90AA1 (0.40) ALDH1A1HTTHSP90AA1HSP90AB1NR4A2
SCHEMBL2290050 0.77 EDNRB (0.32) ALDH1A1GAA
SCHEMBL2283617 0.77 GAA (0.33) ALDH1A1HTTGAA

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 1037/4885HTT 1936/4885HSP90AA1 3876/4885

“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.