SCHEMBL2935227

SCHEMBL2935227

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.42
HDAC1 Q13547 6/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM1A O60341 2/20 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
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2934614 0.89 KMT2A (0.54) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL2933192 0.85 KMT2A (0.43) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL2936546 0.85 KMT2A (0.51) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL2935358 0.84 HPGD (0.40) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL16578878 0.83 ALDH1A1 (0.49) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL30317956 0.80 NPC1 (0.49) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL18338361 0.80 LMNA (0.65) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL13177776 0.79 ALDH1A1 (0.45) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL20529830 0.79 GRM2 (0.46) ALDH1A1LMNAKMT2AMEN1HDAC1
SCHEMBL28698821 0.79 ALDH1A1 (0.50) ALDH1A1LMNAKMT2ANPC1RAB9A

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 ALDH1A1 1388/4885LMNA 3478/4885KMT2A 4133/4885

“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.