SCHEMBL1962239

SCHEMBL1962239

N/C(=N\O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
AKR1C3 P42330 1/20 0.42
F2 P00734 1/20 0.42
F7 P08709 1/20 0.42
CYP3A4 P08684 1/20 0.42
SLC9A1 P19634 1/20 0.42
CYP2C19 P33261 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3C2B O00750 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL1962241 1.00 NOTUM (0.50) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL2340975 0.87 SLC9A1 (0.45) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL2340985 0.87 SLC9A1 (0.45) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL2709426 0.84 SMN1; SMN2 (0.56) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL2344748 0.83 PDE3B (0.43) SMN1; SMN2TP53MAPTTHRBPDE3B
SCHEMBL2344744 0.83 PDE3B (0.43) SMN1; SMN2TP53MAPTTHRBPDE3B
SCHEMBL15075695 0.81 SMN1; SMN2 (0.51) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL580818 0.80 TTR (0.55) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL12433016 0.80 NOTUM (0.53) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL23648381 0.78 SMN1; SMN2 (0.54) NOTUMSMN1; SMN2TP53MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 NOTUM 3420/4885SMN1; SMN2 3564/4885TP53 4155/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 NOTUM 3420/4885SMN1; SMN2 3564/4885TP53 4155/4885

“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.