SCHEMBL13488654

SCHEMBL13488654

CCOC(=O)c1ccn(Cc2ccc(/C(N)=N/O)c(Br)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.37
GRM2 Q14416 2/20 0.35
NPC1 O15118 4/20 0.35
KMT2A Q03164 4/20 0.35
RAB9A P51151 3/20 0.35
RXFP1 Q9HBX9 3/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL13178015 0.88 KMT2A (0.41) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL13177776 0.83 ALDH1A1 (0.45) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL2935358 0.82 HPGD (0.40) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL2933669 0.78 CACNA1G (0.41) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL16578878 0.78 ALDH1A1 (0.49) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL29699794 0.76 HPGD (0.53) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL30587612 0.74 CACNA1G (0.55) SMN1; SMN2HPGDALDH1A1LMNACACNA1G
SCHEMBL18366115 0.74 CACNA1G (0.55) SMN1; SMN2HPGDALDH1A1LMNACACNA1G
SCHEMBL13488653 0.73 KMT2A (0.48) HPGDALDH1A1LMNANPC1KMT2A
SCHEMBL2933192 0.73 KMT2A (0.43) SMN1; SMN2HPGDALDH1A1LMNANPC1

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 SMN1; SMN2 1247/4885HPGD 1231/4885ALDH1A1 1388/4885

“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.