SCHEMBL2937445

SCHEMBL2937445

CCOC(=O)c1ccn(Cc2ccc(C#N)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
CACNA1G O43497 1/20 0.50
CACNA1H O95180 1/20 0.50
CACNA1I Q9P0X4 1/20 0.50
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.47
ELANE P08246 1/20 0.45
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL2936428 0.84 AR (0.45) MAPTTDP1CACNA1GCACNA1HCACNA1I
SCHEMBL2929197 0.84 KMT2A (0.51) MAPTTDP1LMNASMN1; SMN2TSHR
SCHEMBL13488947 0.83 MAPT (0.43) MAPTTDP1LMNASMN1; SMN2TSHR
SCHEMBL30317956 0.83 NPC1 (0.49) MAPTCACNA1GCACNA1HCACNA1ILMNA
SCHEMBL16578878 0.83 ALDH1A1 (0.49) MAPTLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL18338361 0.83 LMNA (0.65) MAPTTDP1CACNA1GCACNA1HCACNA1I
SCHEMBL28698821 0.82 ALDH1A1 (0.50) MAPTLMNASMN1; SMN2TSHRALDH1A1
SCHEMBL2933669 0.82 CACNA1G (0.41) MAPTTDP1CACNA1GCACNA1HCACNA1I
SCHEMBL31598756 0.81 CACNA1G (0.53) CACNA1GCACNA1HCACNA1ISMN1; SMN2ALDH1A1
SCHEMBL23081449 0.81 ALDH1A1 (0.47) MAPTTDP1CACNA1GCACNA1HCACNA1I

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 7 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
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 MAPT 3286/4885TDP1 1872/4885CACNA1G 1038/4885

“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.