SCHEMBL2289758

SCHEMBL2289758

COc1cc(OC)nc(C(SC)c2c(N)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 2/20 0.36
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NR4A2 P43354 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
NUDT1 P36639 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2292193 0.84 EDNRB (0.35) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL2287597 0.84 ALDH1A1 (0.31) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL2285612 0.84
SCHEMBL2288844 0.82 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1NPSR1NR4A2
SCHEMBL2287006 0.82 HSP90AA1 (0.36) HSP90AA1HSP90AB1ALDH1A1NPSR1NPC1
SCHEMBL2285839 0.80 TDO2 (0.34)
SCHEMBL2292162 0.77 TDO2 (0.34)
SCHEMBL2283617 0.77 GAA (0.33) ALDH1A1NPC1
SCHEMBL2282979 0.75 HSP90AA1 (0.40) HSP90AA1HSP90AB1ALDH1A1NPSR1NR4A2
SCHEMBL2286494 0.75 ALDH1A1 (0.33) HSP90AA1HSP90AB1ALDH1A1NR4A2NPC1

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 HSP90AA1 3876/4885HSP90AB1 3783/4885ALDH1A1 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.