SCHEMBL407489

SCHEMBL407489

CC(C)(C)C(OCc1ccc(C(N)=NO)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR4A2 P43354 1/20 0.35

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
SCHEMBL407488 1.00 RAB9A (0.38) RAB9AGAAHDAC1HDAC2NPC1
SCHEMBL408720 0.85 SLC7A5 (0.42) RAB9ATP53KDM1AL3MBTL1
SCHEMBL408721 0.85 SLC7A5 (0.42) RAB9ATP53KDM1AL3MBTL1
SCHEMBL7540932 0.78 SLC1A1 (0.51) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7540938 0.78 SLC1A1 (0.51) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL23321191 0.77 MME (0.44) MAPTKMT2ARXRARXRB
SCHEMBL403906 0.76 RAB9A (0.45) RAB9ANPC1L3MBTL1
SCHEMBL20597672 0.71 KMT2A (0.46) RAB9AGAAHDAC1HDAC2NPC1
SCHEMBL20597670 0.71 KMT2A (0.46) RAB9AGAAHDAC1HDAC2NPC1
SCHEMBL28572177 0.71 KMT2A (0.46) RAB9AGAAHDAC1HDAC2NPC1

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
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP 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 (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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB RAB9A 4195/4885GAA 3238/4885HDAC1 212/4885

“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.