SCHEMBL1398490

SCHEMBL1398490

CCOC(=O)CCCn1cc2c(C(=N)NO)cccc2n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.45
PDE4D Q08499 2/20 0.42
TOP2A P11388 2/20 0.41
TNF P01375 8/20 0.40
PDE5A O76074 1/20 0.37
ELANE P08246 1/20 0.37
CNR2 P34972 1/20 0.37
CREBBP Q92793 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
SCHEMBL1398428 0.94 PDE4D (0.40) CNR1PDE4DTOP2ATNFCREBBP
SCHEMBL12809066 0.81 CNR1 (0.42) CNR1TOP2ATNFCREBBPLMNA
SCHEMBL13332362 0.81 CNR1 (0.42) CNR1TOP2ATNFCREBBPLMNA
SCHEMBL1398457 0.78 TNF (0.47) CNR1PDE4DTOP2ATNFLMNA
SCHEMBL1398590 0.77 S1PR1 (0.43) CNR1PDE4DTOP2ATNF
SCHEMBL1398484 0.77 CNR1 (0.47) CNR1PDE4DTOP2ATNFCNR2
SCHEMBL402819 0.77 CNR1 (0.59) CNR1TNFCNR2CREBBPLMNA
SCHEMBL13584130 0.76 TNF (0.46) CNR1PDE4DTOP2ATNFLMNA
SCHEMBL12808842 0.74 CREBBP (0.40) CNR1PDE4DTOP2ACREBBPLMNA
SCHEMBL1398527 0.72 CREBBP (0.42) CNR1TNFCREBBPLMNAKDM4E

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 31/4885PDE4D 371/4885TOP2A 3328/4885

“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.