SCHEMBL2284252

SCHEMBL2284252

COc1nc(OC)nc(C(SC)c2ccc(Cl)cc2N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.35
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
ABL1 P00519 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NR4A2 P43354 1/20 0.31
GAA P10253 2/20 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 0.86 ALDH1A1 (0.33) ALDH1A1ALOX15SMN1; SMN2CYP3A4MAPK1
SCHEMBL2287278 0.84
SCHEMBL2286359 0.82 ALDH1A1 (0.37) ALDH1A1ALOX15SMN1; SMN2CYP3A4MAPK1
SCHEMBL9960647 0.80 ALDH1A1 (0.34) ALDH1A1TSHRTDP1KMT2AMAPT
SCHEMBL2285873 0.78 GAA (0.30) GAAMAPT
SCHEMBL2286494 0.76 ALDH1A1 (0.33) ALDH1A1ALOX15SMN1; SMN2CYP3A4MAPK1
SCHEMBL2285602 0.76
SCHEMBL2287297 0.76 HSP90AA1 (0.32) ALDH1A1CYP3A4HSP90AA1HSP90AB1LMNA
SCHEMBL3782833 0.71 MCHR1 (0.35) ALDH1A1CYP3A4MAPK1TDP1KDM4E
SCHEMBL2287644 0.70 NPC1 (0.32)

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 MAT2A 2734/4885ALDH1A1 1037/4885ALOX15 3052/4885

“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.