SCHEMBL3582704

SCHEMBL3582704

C/C(=N/OCC(=O)CO/N=C(/C)c1cccc(C)n1)c1cccc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
HSP90AA1 P07900 1/20 0.44
GRM5 P41594 2/20 0.43
CYP1A2 P05177 1/20 0.40
HKDC1 Q2TB90 1/20 0.39
DUSP3 P51452 1/20 0.38
PTPN11 Q06124 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSA P10619 1/20 0.36

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
SCHEMBL3582700 1.00 P2RX7 (0.49) P2RX7HSP90AA1GRM5CYP1A2HKDC1
SCHEMBL3582708 1.00 P2RX7 (0.49) P2RX7HSP90AA1GRM5CYP1A2HKDC1
SCHEMBL3592536 0.84 HSP90AA1 (0.44) P2RX7HSP90AA1GRM5CYP1A2HKDC1
SCHEMBL3592540 0.84 HSP90AA1 (0.44) P2RX7HSP90AA1GRM5CYP1A2HKDC1
SCHEMBL3596036 0.83 HSP90AA1 (0.43) P2RX7HSP90AA1GRM5CYP1A2HKDC1
SCHEMBL3596033 0.83 HSP90AA1 (0.43) P2RX7HSP90AA1GRM5CYP1A2HKDC1
SCHEMBL3596024 0.83 HSP90AA1 (0.43) P2RX7HSP90AA1GRM5CYP1A2HKDC1
SCHEMBL13545608 0.81 HSP90AA1 (0.44) P2RX7HSP90AA1GRM5CYP1A2HKDC1
SCHEMBL13545605 0.80 HSP90AA1 (0.43) P2RX7HSP90AA1GRM5CYP1A2HKDC1
SCHEMBL874106 0.80 P2RX7 (0.41) P2RX7HSP90AA1GRM5CYP1A2HKDC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
EP-2106214-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES Bayer CropScience Aktiengesellschaft (DE) 2009-10-07 EP disclosed
WO-2008074418-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2008-06-26 WO disclosed
WO-2008074418-A2 BISOXIMES AS FUNGICIDES AND ARTHROPODICIDES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2008-06-26 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-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 P2RX7 1144/4885HSP90AA1 3938/4885GRM5 624/4885

“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.