SCHEMBL1962825

SCHEMBL1962825

N/C(=N\O)c1cc(-c2ccccc2)c(C(F)(F)F)s1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.57
C1S P09871 1/20 0.49
S1PR1 P21453 8/20 0.42
DGAT1 O75907 1/20 0.38
S1PR5 Q9H228 6/20 0.38
ALOX15 P16050 1/20 0.38
PLAU P00749 1/20 0.38
NTRK1 P04629 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
S1PR4 O95977 5/20 0.35
S1PR3 Q99500 3/20 0.35
F9 P00740 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC9A1 P19634 1/20 0.34

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
SCHEMBL1962831 1.00 PLK1 (0.57) PLK1C1SS1PR1DGAT1S1PR5
SCHEMBL6925254 0.82 C1S (0.68) PLK1C1SS1PR1DGAT1S1PR5
SCHEMBL1963231 0.82 PLK1 (0.68) PLK1C1SS1PR1DGAT1S1PR5
SCHEMBL14206159 0.80 PLK1 (0.52) PLK1C1SS1PR1DGAT1S1PR5
SCHEMBL404394 0.78 PLK1 (0.71) PLK1C1SS1PR1DGAT1S1PR5
Hydrochloric Acid SCHEMBL8186534 0.77 PLK1 (0.69) PLK1C1SS1PR1DGAT1S1PR5
SCHEMBL1799551 0.76 PLK1 (0.72) PLK1C1SS1PR1DGAT1S1PR5
SCHEMBL3054006 0.76 PLK1 (0.68) PLK1C1SS1PR1DGAT1S1PR5
SCHEMBL1962826 0.73 PLK1 (0.64) PLK1C1SS1PR1DGAT1S1PR5
SCHEMBL403196 0.72 PLK1 (0.71) PLK1C1SS1PR1DGAT1S1PR5

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 6 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

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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 PLK1 646/4885C1S 4365/4885S1PR1 2/4885

“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.