SCHEMBL3592540

SCHEMBL3592540

C=C(CON=C(C)c1cccc(C)n1)CON=C(C)c1cccc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HKDC1 Q2TB90 1/20 0.42
P2RX7 Q99572 1/20 0.41
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
GRM5 P41594 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3592536 1.00 HSP90AA1 (0.44) HSP90AA1HKDC1P2RX7DUSP3PTPN11
SCHEMBL14162691 0.93 P2RX7 (0.40) HSP90AA1HKDC1P2RX7DUSP3PTPN11
SCHEMBL3596024 0.86 HSP90AA1 (0.43) HSP90AA1HKDC1P2RX7DUSP3PTPN11
SCHEMBL3596036 0.86 HSP90AA1 (0.43) HSP90AA1HKDC1P2RX7DUSP3PTPN11
SCHEMBL3596033 0.86 HSP90AA1 (0.43) HSP90AA1HKDC1P2RX7DUSP3PTPN11
SCHEMBL3582708 0.84 P2RX7 (0.49) HSP90AA1HKDC1P2RX7DUSP3PTPN11
SCHEMBL3582700 0.84 P2RX7 (0.49) HSP90AA1HKDC1P2RX7DUSP3PTPN11
SCHEMBL3582704 0.84 P2RX7 (0.49) HSP90AA1HKDC1P2RX7DUSP3PTPN11
SCHEMBL13545608 0.81 HSP90AA1 (0.44) HSP90AA1HKDC1P2RX7DUSP3PTPN11
SCHEMBL13545605 0.80 HSP90AA1 (0.43) HSP90AA1HKDC1P2RX7DUSP3PTPN11

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 1 patent. 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

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 HSP90AA1 3938/4885HKDC1 4514/4885P2RX7 1144/4885

“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.