SCHEMBL4394032

SCHEMBL4394032

O=S(=O)(c1ccc(N2CCOCC2)nc1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.44
IDH2 P48735 2/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 4/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
GCK P35557 1/20 0.40

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
SCHEMBL4386302 0.93 KDM4E (0.48) ALDH1A1SMN1; SMN2KMT2AGAALMNA
SCHEMBL4380169 0.85 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KMT2ALMNAKDM4E
SCHEMBL4380308 0.83 LMNA (0.47) ALDH1A1SMN1; SMN2KMT2ALMNAKDM4E
SCHEMBL4381146 0.82 LMNA (0.46) ALDH1A1SMN1; SMN2KMT2AGAALMNA
SCHEMBL4380224 0.82 LMNA (0.45) ALDH1A1SMN1; SMN2KMT2ALMNAKDM4E
SCHEMBL4395322 0.82 LMNA (0.45) ALDH1A1SMN1; SMN2KMT2ALMNAKDM4E
SCHEMBL4391011 0.82 LMNA (0.54) ALDH1A1SMN1; SMN2KMT2AGAALMNA
SCHEMBL4385367 0.81 HTT (0.51) ALDH1A1SMN1; SMN2KMT2AGAALMNA
SCHEMBL4385253 0.81 LMNA (0.45) ALDH1A1SMN1; SMN2KMT2AGAALMNA
SCHEMBL4384735 0.81 LMNA (0.47) ALDH1A1SMN1; SMN2KMT2ALMNAKDM4E

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
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 ALDH1A1 2105/4885SMN1; SMN2 664/4885KMT2A 2079/4885

“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.