SCHEMBL3548305

SCHEMBL3548305

COC(=O)C(=O)Nc1cnc(N2CC[N+](C(=O)[O-])(C(C)(C)C)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KIT P10721 4/20 0.34
DGAT1 O75907 1/20 0.33
OGA O60502 6/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK7 Q13164 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL5326030 0.74 PTPN11 (0.53) MAPTDGAT1MEN1TSHRKMT2A
SCHEMBL13009501 0.74 PTPN11 (0.47) MAPTDGAT1OGAMEN1KMT2A
Hydrochloric Acid SCHEMBL3540138 0.74 ALDH1A1 (0.44) MAPTKDM4EMEN1TSHRKMT2A
SCHEMBL3548310 0.69 SLC6A7 (0.39) KITDGAT1OGAGPR119
SCHEMBL5652865 0.66 CYP1A2 (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL15205473 0.62 AKR1C3 (0.44) MAPTOGAKDM4EMEN1KMT2A
SCHEMBL15075595 0.62 NPSR1 (0.50) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL1479273 0.61 HPGD (0.41) MEN1KMT2AALDH1A1
SCHEMBL3544289 0.61 PTPN11 (0.52) MAPTOGAMEN1KMT2AALDH1A1
SCHEMBL3545383 0.61 DDB1 (0.58) MAPTDGAT1KDM4EMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 MAPT 2115/4885KIT 4522/4885DGAT1 1/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 MAPT 1986/4885KIT 4565/4885DGAT1 1/4885

“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.