SCHEMBL9109949

SCHEMBL9109949

CNc1ncccc1-c1noc(C(=Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
KCNH2 Q12809 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 5/20 0.35
POLB P06746 3/20 0.35
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 4/20 0.31
TP53 P04637 2/20 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
SCHEMBL9109947 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL9109943 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL9110383 0.93 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL9110376 0.93 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL9110367 0.93 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL9110623 0.90 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL9110615 0.90 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL9110633 0.90 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL9911756 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL9108585 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646028-B1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-11-12 EP claimed
EP-2646028-A1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
US-8288555-B2 Alkene derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2012-10-16 US claimed
US-20120142740-A1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
WO-2012074898-A1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO claimed
EP-2646028-B1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-11-12 EP disclosed
EP-2646028-A1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
US-8288555-B2 Alkene derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2012-10-16 US disclosed
US-20120142740-A1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
WO-2012074898-A1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20120142740-A1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR3 PDE4A 447/4885PDE4B 539/4885PDE4C 939/4885

“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.