SCHEMBL2666845

SCHEMBL2666845

CN(C)CCOc1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
AURKB Q96GD4 1/20 0.57
LCK P06239 9/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TP53 P04637 2/20 0.50

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
SCHEMBL210833 0.82 AURKB (0.60) AURKBLCKSMN1; SMN2MAPTTP53
SCHEMBL4402284 0.80 CA2 (0.61) LMNALCKTSHRSMN1; SMN2NPC1
SCHEMBL28589359 0.79 DYRK1A (0.74) LMNALCKSMN1; SMN2NPC1RAB9A
SCHEMBL12933742 0.79 AURKB (0.56) LMNAAURKBTSHRSMN1; SMN2NPC1
SCHEMBL15271022 0.78 DYRK1A (0.66) LMNAAURKBTSHRSMN1; SMN2NPC1
SCHEMBL29506738 0.77 LCK (0.69) LCKSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2666847 0.77 DYRK1A (0.67) LCKRAB9A
SCHEMBL17090573 0.77 LCK (0.69) LCKSMN1; SMN2NPC1RAB9AMAPT
Tioxidazole SCHEMBL23382 0.77 LMNA (1.00) LMNATSHRSMN1; SMN2NPC1RAB9A
Tioxidazole SCHEMBL1033860 0.77 LMNA (1.00) LMNATSHRSMN1; SMN2NPC1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119626-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-21 US disclosed
US-8119626-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-21 US disclosed
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF SUGAWARA KAZUTOSHI 2009-11-26 US disclosed
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF SUGAWARA KAZUTOSHI 2009-11-26 US disclosed
US-7514439-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-7514439-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-20080132479-A1 Oxime Derivative and Preparations Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-05 US disclosed
US-20080132479-A1 Oxime Derivative and Preparations Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-05 US disclosed
WO-2007007886-A1 AN OXIME DERIVATIVE AND PREPARATIONS THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-18 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 (2 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-20080132479-A1 Oxime Derivative and Preparations Thereof GCK, KHK, GCKR LMNA 4702/4885AURKB 3105/4885LCK 695/4885
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF GCK, KHK, GCKR LMNA 4702/4885AURKB 3105/4885LCK 695/4885

“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.