SCHEMBL1965618

SCHEMBL1965618

CC(C)Oc1ncc(/C(N)=N/O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.37
S1PR5 Q9H228 2/20 0.35
RORC P51449 1/20 0.34
S1PR3 Q99500 1/20 0.34
SCN9A Q15858 5/20 0.33
CNR1 P21554 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
RECQL P46063 1/20 0.32
TYK2 P29597 1/20 0.32
ACACB O00763 1/20 0.32
POLB P06746 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
SCHEMBL1965620 1.00 S1PR1 (0.37) S1PR1S1PR5RORCS1PR3SCN9A
SCHEMBL1963502 0.82 PARP10 (0.44) S1PR1S1PR5RORCS1PR3SCN9A
SCHEMBL17627108 0.80 RORC (0.41) S1PR1S1PR5RORCS1PR3SCN9A
SCHEMBL404384 0.77 RORC (0.45) S1PR1S1PR5RORCS1PR3SCN9A
SCHEMBL1013088 0.77 RORC (0.42) S1PR1S1PR5RORCS1PR3SCN9A
SCHEMBL3957207 0.75 S1PR1 (0.41) S1PR1S1PR5RORCS1PR3SCN9A
SCHEMBL401766 0.75 P2RY12 (0.45) S1PR1S1PR5RORCS1PR3SCN9A
SCHEMBL1964065 0.75 RORC (0.43) S1PR1S1PR5RORCS1PR3SCN9A
Hydrochloric Acid SCHEMBL27669705 0.74 S1PR1 (0.41) S1PR1S1PR5RORCS1PR3SCN9A
SCHEMBL1725824 0.74 TDP1 (0.38) RAB9A

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 S1PR1 2/4885S1PR5 4/4885RORC 173/4885

“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.