SCHEMBL2282979

SCHEMBL2282979

COc1cc(C)nc(C(SC)c2cccc(Cl)c2N)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NR4A2 P43354 1/20 0.35
HSP90AB1 P08238 2/20 0.33
LMNA P02545 2/20 0.33
SLC6A3 Q01959 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2287006 0.93 HSP90AA1 (0.36) HSP90AA1SMN1; SMN2ALDH1A1HSP90AB1CYP1A2
SCHEMBL2286349 0.89 NR4A2 (0.40) HSP90AA1SMN1; SMN2ALDH1A1NR4A2LMNA
SCHEMBL2291751 0.86 KMT2A (0.34) HSP90AA1SMN1; SMN2HTTALDH1A1SLC6A3
SCHEMBL2292358 0.84 KDM4E (0.38) HSP90AA1HTTALDH1A1HSP90AB1LMNA
SCHEMBL2285608 0.84 HSP90AA1 (0.42) HSP90AA1SMN1; SMN2HTTALDH1A1NR4A2
SCHEMBL2286655 0.83 HSP90AA1 (0.41) HSP90AA1SMN1; SMN2HTTALDH1A1NR4A2
SCHEMBL2291626 0.83 HSP90AA1 (0.41) HSP90AA1SMN1; SMN2HTTALDH1A1NR4A2
SCHEMBL2287297 0.81 HSP90AA1 (0.32) HSP90AA1ALDH1A1HSP90AB1LMNAMAPT
SCHEMBL2286359 0.80 ALDH1A1 (0.37) HSP90AA1SMN1; SMN2HTTALDH1A1NR4A2
SCHEMBL3781495 0.79 KDM4E (0.39) HSP90AA1ALDH1A1HSP90AB1MAPT

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 HSP90AA1 3876/4885SMN1; SMN2 3491/4885HTT 1936/4885

“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.