SCHEMBL882889

SCHEMBL882889

C=CCO/N=C(\C)c1cccc(CCCO/N=C(\C)c2cccc(C)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
LMNA P02545 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN11 Q06124 1/20 0.33
P2RX7 Q99572 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAPT P10636 1/20 0.31
KCNH2 Q12809 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
SCHEMBL10273698 0.88 HSP90AA1 (0.38) HSP90AA1SMN1; SMN2HKDC1LMNADUSP3
SCHEMBL882865 0.86 HSP90AA1 (0.38) HSP90AA1SMN1; SMN2HKDC1LMNADUSP3
SCHEMBL882894 0.86 HSP90AA1 (0.38) HSP90AA1SMN1; SMN2HKDC1LMNADUSP3
SCHEMBL882995 0.85 P2RX7 (0.40) HSP90AA1HKDC1DUSP3PTPN11P2RX7
SCHEMBL5020366 0.84 CCR1 (0.41) HSP90AA1SMN1; SMN2HKDC1LMNADUSP3
SCHEMBL5020362 0.83 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL10273020 0.83 KCNH2 (0.30) KCNH2
SCHEMBL5020358 0.83 HSP90AA1 (0.36) HSP90AA1HKDC1DUSP3PTPN11P2RX7
SCHEMBL5020378 0.82 GRM5 (0.37) HSP90AA1SMN1; SMN2HKDC1LMNADUSP3
SCHEMBL15464235 0.82 GRM5 (0.37) HSP90AA1SMN1; SMN2HKDC1LMNADUSP3

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
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 HSP90AA1 2350/4885SMN1; SMN2 4778/4885HKDC1 2262/4885

“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.