SCHEMBL2289762

SCHEMBL2289762

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL2286359 0.92 ALDH1A1 (0.37) ALDH1A1ALOX15SMN1; SMN2CYP3A4MAPK1
SCHEMBL2286494 0.89 ALDH1A1 (0.33) ALDH1A1ALOX15SMN1; SMN2CYP3A4MAPK1
SCHEMBL2284252 0.86 MAT2A (0.35) ALDH1A1ALOX15SMN1; SMN2CYP3A4MAPK1
SCHEMBL2290050 0.84 EDNRB (0.32) ALDH1A1EDNRBEDNRAGAA
SCHEMBL2283617 0.83 GAA (0.33) ALDH1A1HTTGAA
SCHEMBL2285496 0.82 CYP3A4 (0.36) ALDH1A1ALOX15SMN1; SMN2CYP3A4MAPK1
SCHEMBL2289314 0.81 TDO2 (0.32)
SCHEMBL2289662 0.80
SCHEMBL2285612 0.80
SCHEMBL2289487 0.78

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 ALDH1A1 1037/4885ALOX15 3052/4885SMN1; SMN2 3491/4885

“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.