SCHEMBL1609855

SCHEMBL1609855

CC(C)Oc1ncc(-c2nc(-c3ccc4cc[nH]c4c3)no2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.54
KCNH2 Q12809 1/20 0.50
S1PR3 Q99500 5/20 0.49
S1PR5 Q9H228 2/20 0.49
MAP4K4 O95819 2/20 0.44
MINK1 Q8N4C8 2/20 0.44
PRKCD Q05655 1/20 0.44

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
SCHEMBL1609353 0.85 S1PR1 (0.65) S1PR1S1PR3MAP4K4MINK1PRKCD
SCHEMBL1398533 0.81 MAOB (0.53) S1PR1KCNH2S1PR3S1PR5MAP4K4
SCHEMBL2123783 0.81 S1PR1 (0.52) S1PR1KCNH2S1PR3S1PR5
SCHEMBL1420273 0.80 S1PR1 (0.52) S1PR1KCNH2S1PR3S1PR5MAP4K4
SCHEMBL10455679 0.80 S1PR1 (0.76) S1PR1KCNH2S1PR3S1PR5
Hydrochloric Acid SCHEMBL2991799 0.79 S1PR1 (0.75) S1PR1KCNH2S1PR3S1PR5
SCHEMBL2335415 0.77 S1PR1 (0.62) S1PR1S1PR3MAP4K4MINK1PRKCD
SCHEMBL404150 0.77 S1PR1 (0.62) S1PR1S1PR3MAP4K4MINK1PRKCD
SCHEMBL1420314 0.76 S1PR1 (0.79) S1PR1S1PR3S1PR5
SCHEMBL2807560 0.76 S1PR1 (0.58) S1PR1S1PR3S1PR5MAP4K4MINK1

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
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 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 (3 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-20100029729-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885KCNH2 2011/4885S1PR3 1694/4885
US-20100010053-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885KCNH2 2011/4885S1PR3 1694/4885
US-20110086839-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 S1PR1 2320/4885KCNH2 2011/4885S1PR3 1694/4885

“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.