SCHEMBL13488653

SCHEMBL13488653

CCOC(=O)c1ccn(Cc2ccc(/C(N)=N/O)cc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
JMJD6 Q6NYC1 1/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL13177776 0.85 ALDH1A1 (0.45) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL2936546 0.82 KMT2A (0.51) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL13178015 0.80 KMT2A (0.41) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL2929197 0.78 KMT2A (0.51) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL29819680 0.78 NPC1 (0.77) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL25113403 0.74 KMT2A (0.48) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL13488654 0.73 SMN1; SMN2 (0.39) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL1739337 0.72 ALDH1A1 (0.61) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL30122034 0.71 NPC1 (0.46) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL14584213 0.71 KMT2A (0.73) KMT2AMEN1NPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 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-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 KMT2A 4133/4885MEN1 1833/4885NPC1 284/4885

“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.