SCHEMBL4393069

SCHEMBL4393069

N#Cc1cc(CON=C2CCN(S(=O)(=O)c3ccc(NCC4CC4)cc3)CC2)ccc1NCC1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
GAA P10253 3/20 0.35
ALDH3A1 P30838 1/20 0.35
SCN5A Q14524 1/20 0.34
CCR6 P51684 1/20 0.34
MEN1 O00255 7/20 0.33
KMT2A Q03164 7/20 0.33
MAPT P10636 6/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGM2 P21980 2/20 0.33
F13A1 P00488 1/20 0.33
TGM1 P22735 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 2/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL4393067 0.88 SCN5A (0.32) ALDH1A1GAASCN5AMEN1KMT2A
SCHEMBL4392967 0.85 ADAM17 (0.41) ALDH1A1GAACCR6MEN1KMT2A
SCHEMBL4384886 0.80 PKM (0.38) ALDH1A1GAACCR6MEN1KMT2A
SCHEMBL4381060 0.78 TP53 (0.37) ALDH1A1CCR6MEN1KMT2AMAPT
SCHEMBL4383813 0.76 RORC (0.43) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL4382701 0.75 PKM (0.47) ALDH1A1GAAMEN1KMT2AHTT
SCHEMBL4385274 0.74 PKM (0.41) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL4383060 0.73 NAMPT (0.41) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL4380777 0.72 ADAM17 (0.40) ALDH1A1GAAMAPTLMNASMN1; SMN2
SCHEMBL4385264 0.72 ALDH1A1 (0.40) ALDH1A1GAACCR6MEN1KMT2A

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 4 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
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 2105/4885GAA 3245/4885ALDH3A1 1628/4885

“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.