SCHEMBL1398484

SCHEMBL1398484

CCOC(=O)CCCn1ncc2c(C(=N)NO)cccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
TNF P01375 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTNNB1 P35222 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CREBBP Q92793 1/20 0.39
TBXAS1 P24557 1/20 0.39
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
CNR2 P34972 1/20 0.37
TOP2A P11388 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1398527 0.94 CREBBP (0.42) CNR1TNFMEN1KMT2ATP53
SCHEMBL1980052 0.88 KDM4E (0.39) CNR1TNFMEN1KMT2ACTNNB1
SCHEMBL1398658 0.82 CYP11B2 (0.36) MEN1KMT2ATP53KDM4EPDE4B
SCHEMBL13332363 0.81 CNR1 (0.45) CNR1TNFMEN1KMT2ACTNNB1
SCHEMBL402819 0.81 CNR1 (0.59) CNR1TNFCREBBPCNR2
SCHEMBL1398482 0.80 CYP11B2 (0.37) MEN1KMT2ATP53KDM4EHSD17B10
SCHEMBL1980425 0.79 KDM4E (0.39) CNR1TNFKDM4EHSD17B10PDE4B
SCHEMBL1981917 0.79 TP53 (0.44) MEN1KMT2ATP53KDM4EHSD17B10
SCHEMBL1982374 0.78 KDM4E (0.39) CNR1TNFKDM4EHSD17B10PDE4B
SCHEMBL1980190 0.78 KMO (0.41) CNR1TNFKDM4EHSD17B10PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
EP-2137181-B1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LTD (GB) 2011-03-02 EP disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
EP-2137181-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS S1PR1, S1PR3, S1PR2 CNR1 31/4885TNF 3618/4885MEN1 2012/4885

“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.