SCHEMBL13130682

SCHEMBL13130682

CC(C)O/N=C1\CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 7/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
CES1 P23141 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL13130690 0.90 ALDH1A1 (0.51) L3MBTL1HPGDALDH1A1MAPTKMT2A
SCHEMBL11886413 0.79 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1HPGDHTTALDH1A1
SCHEMBL10192543 0.79 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1HPGDHTTALDH1A1
SCHEMBL788630 0.79 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1HPGDHTTALDH1A1
SCHEMBL8950340 0.79 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1HPGDHTTALDH1A1
SCHEMBL18608898 0.78 MAPT (0.41) SMN1; SMN2L3MBTL1HTTALDH1A1MAPT
SCHEMBL18590268 0.76 NPC1 (0.36) SMN1; SMN2L3MBTL1HPGDHTTALDH1A1
SCHEMBL22420907 0.76 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1HPGDHTTALDH1A1
SCHEMBL15449619 0.75 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1HPGDHTTALDH1A1
SCHEMBL13130689 0.73 MEN1 (0.37) SMN1; SMN2HTTMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563732-B2 Oxyimino compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2013-10-22 US disclosed
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2010-09-23 US 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-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF CACNA1A, CACNA1S, OPRM1 SMN1; SMN2 476/4885L3MBTL1 1643/4885HPGD 605/4885

“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.