SCHEMBL9103566

SCHEMBL9103566

CNc1ncccc1-c1noc(C(Oc2ccc(Br)cc2)c2ccc(Cl)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 4/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSP90AA1 P07900 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PTPN1 P18031 1/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL9106492 0.95 MAPT (0.38) MAPTPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL9102493 0.91 MAPT (0.44) MAPTPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL9106284 0.91 MAPT (0.37) MAPTPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL9105487 0.87 S1PR3 (0.39) MAPTPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL9102537 0.87 MAPT (0.37) MAPTPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL9108212 0.86 MAPT (0.38) MAPTPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL9108232 0.86 MAPT (0.38) MAPTPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL9104139 0.85 HTT (0.37) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL9100806 0.83 NPC1 (0.38) MAPTPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL9104063 0.81 MAPT (0.38) MAPTPOLBRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646026-B1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP claimed
US-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US claimed
US-8618139-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-12-31 US claimed
EP-2646026-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
WO-2012074718-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
EP-2646026-B1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
EP-2646026-B1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
US-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US disclosed
US-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US disclosed
US-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US disclosed
US-8618139-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-12-31 US disclosed
EP-2646026-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
WO-2012074718-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 MAPT 3079/4885POLB 4375/4885RAB9A 3307/4885
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 MAPT 3079/4885POLB 4375/4885RAB9A 3307/4885

“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.