SCHEMBL2934614

SCHEMBL2934614

COC(=O)c1ccn(Cc2ccc(C(=N)NO)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 2/20 0.54
HDAC1 Q13547 6/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC6 Q9UBN7 3/20 0.41
KDM1A O60341 2/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GAA P10253 1/20 0.41
FAAH O00519 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2935227 0.89 ALDH1A1 (0.44) KMT2ARAB9ANPC1MEN1HDAC1
SCHEMBL1906943 0.80 KMT2A (0.60) KMT2ARAB9ANPC1MEN1HDAC1
SCHEMBL18367351 0.80 KMT2A (0.71) KMT2ARAB9ANPC1MEN1HDAC1
SCHEMBL27786061 0.75 MEN1 (0.51) KMT2ARAB9ANPC1MEN1HDAC1
SCHEMBL2936546 0.74 KMT2A (0.51) KMT2ARAB9ANPC1MEN1TDP1
SCHEMBL2933192 0.74 KMT2A (0.43) KMT2ARAB9ANPC1MEN1HDAC1
SCHEMBL15172489 0.73 RAB9A (0.60) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL2935358 0.73 HPGD (0.40) KMT2ARAB9ANPC1MEN1HDAC1
SCHEMBL184601 0.72 GAA (0.52) KMT2ARAB9AMEN1TDP1ALDH1A1
SCHEMBL10133288 0.72 ALDH1A1 (0.63) KMT2ARAB9ANPC1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-2091950-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP 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 4133/4885RAB9A 3096/4885NPC1 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.