SCHEMBL1398482

SCHEMBL1398482

CCOC(=O)C(C)(C)Cn1ncc2c(C(=N)NO)cccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MMP8 P22894 1/20 0.36
PDE4B Q07343 2/20 0.35
TP53 P04637 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
AR P10275 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL1398658 0.92 CYP11B2 (0.36) CYP11B2KMT2AMEN1MMP8PDE4B
SCHEMBL14039723 0.83 KMT2A (0.38) CYP11B2KMT2AMEN1PDE4BTP53
SCHEMBL1398527 0.82 CREBBP (0.42) KMT2AMEN1PDE4BTP53RAB9A
SCHEMBL12808850 0.81 KMT2A (0.39) CYP11B2KMT2AMEN1PDE4BTP53
SCHEMBL1398484 0.80 CNR1 (0.47) KMT2AMEN1PDE4BTP53HSD17B10
SCHEMBL1981917 0.80 TP53 (0.44) KMT2AMEN1TP53RAB9ANPC1
SCHEMBL1398630 0.77 AR (0.45) KMT2AMEN1ARPOLBTSHR
SCHEMBL1398522 0.75 MEN1 (0.38) KMT2AMEN1PDE4BTP53RAB9A
SCHEMBL12809019 0.74 KMT2A (0.37) KMT2AMEN1PDE4BCYP3A4CYP2C19
SCHEMBL12809018 0.73 MEN1 (0.39) KMT2AMEN1PDE4BTP53RAB9A

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 CYP11B2 237/4885KMT2A 4115/4885MEN1 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.