SCHEMBL4384935

SCHEMBL4384935

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(=NOCc3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 3/20 0.42
HSP90AA1 P07900 2/20 0.42
HSD11B1 P28845 1/20 0.42
MAPK1 P28482 2/20 0.42
CXCR5 P32302 1/20 0.41
APLNR P35414 1/20 0.41
CCR6 P51684 1/20 0.41
CNR1 P21554 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 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
SCHEMBL4391011 0.90 LMNA (0.54) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4385767 0.88 TP53 (0.53) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4379552 0.88 LMNA (0.52) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4387475 0.87 LMNA (0.51) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4385367 0.87 HTT (0.51) LMNASMN1; SMN2ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL4383806 0.87 LMNA (0.51) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4387315 0.86 LMNA (0.52) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4391160 0.86 KMT2A (0.55) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4383663 0.85 LMNA (0.49) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4385647 0.84 LMNA (0.51) LMNASMN1; SMN2ALDH1A1MAPTHTT

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-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 LMNA 3822/4885SMN1; SMN2 664/4885ALDH1A1 2105/4885

“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.