SCHEMBL12809019

SCHEMBL12809019

CCOC(=O)C(C)(C)CCn1ncc2c(/C(N)=N\O)cccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL12808850 0.91 KMT2A (0.39) KMT2AMEN1SMN1; SMN2LMNAHSD17B10
SCHEMBL12809018 0.84 MEN1 (0.39) KMT2AMEN1SCN9ASCN10AMAPT
SCHEMBL12808853 0.83 KMT2A (0.43) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL12601128 0.83 KMT2A (0.43) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL1398658 0.83 CYP11B2 (0.36) KMT2AMEN1SCN9ASCN10ALMNA
SCHEMBL13332363 0.82 CNR1 (0.45) KMT2AMEN1SMN1; SMN2GAAHSD17B10
SCHEMBL1398522 0.81 MEN1 (0.38) KMT2AMEN1SCN9ASCN10ACYP3A4
SCHEMBL1398518 0.78 MAPT (0.39) KMT2AMEN1SCN9ASCN10AGAA
SCHEMBL14039723 0.78 KMT2A (0.38) KMT2AMEN1SMN1; SMN2LMNAHSD17B10
SCHEMBL12601114 0.77 KDM4E (0.44) KMT2AMEN1SMN1; SMN2LMNAGAA

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 6 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
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
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US 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 KMT2A 4115/4885MEN1 2012/4885SCN9A 1666/4885

“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.