SCHEMBL10170635

SCHEMBL10170635

CC(=O)CN(CCO)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN1A P35498 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL12779671 0.84 ALOX15 (0.50) ALOX15KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL10170627 0.83 ALDH1A1 (0.35) ALOX15KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL10170338 0.83 TDP1 (0.48) ALOX15KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL10247121 0.83 CA12 (0.37) TSHRTRPA1ALDH1A1MAPK1
SCHEMBL7168637 0.81 MAPT (0.38) ALOX15KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL10170634 0.80 HPGD (0.34) TSHRTRPA1ALDH1A1HPGD
SCHEMBL10170638 0.78 CACNA1B (0.34)
SCHEMBL26035581 0.76 ALOX15 (0.33) ALOX15KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL10170637 0.75 CA12 (0.38) ALDH1A1MAPK1
SCHEMBL10170314 0.75 CAMK2A (0.34) ALOX15KDM4EMAPTSMN1; SMN2MEN1

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-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 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 (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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ALOX15 436/4885KDM4E 1908/4885MAPT 2597/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ALOX15 436/4885KDM4E 1908/4885MAPT 2597/4885

“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.