SCHEMBL2929197

SCHEMBL2929197

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 6/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
ELANE P08246 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 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
SCHEMBL13488947 0.89 MAPT (0.43) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2937445 0.84 MAPT (0.55) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL29819680 0.80 NPC1 (0.77) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2936428 0.78 AR (0.45) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2936546 0.78 KMT2A (0.51) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL13488653 0.78 KMT2A (0.48) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL25113403 0.76 KMT2A (0.48) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL19253464 0.73 CYP1A2 (0.45) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL14584213 0.73 KMT2A (0.73) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL30122034 0.73 NPC1 (0.46) KMT2ANPC1RAB9AMEN1ALDH1A1

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 6 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
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
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 4133/4885NPC1 284/4885RAB9A 3096/4885

“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.