SCHEMBL1398524

SCHEMBL1398524

CCOC(=O)CCn1ncc2cc(C#N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.45
CACNA1H O95180 2/20 0.45
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD4 O60885 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
BRCA1 P38398 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL1398471 0.93 CACNA1H (0.44) KMOCACNA1HALDH1A1CYP11B2KDM4E
SCHEMBL13332237 0.82 KMO (0.54) KMOALDH1A1POLBTSHRNPC1
SCHEMBL656508 0.82 CHEK1 (0.49) KMOALDH1A1POLBTSHRNPC1
SCHEMBL13332253 0.80 KMO (0.46) KMOALDH1A1POLBTSHRNPC1
SCHEMBL403709 0.79 TNF (0.49) MAPTTDP1
SCHEMBL655973 0.78 GLS (0.61) KMOALDH1A1POLBNPC1RAB9A
SCHEMBL17965212 0.78 KMO (0.50) KMOALDH1A1POLBTSHRNPC1
SCHEMBL23162404 0.77 CACNA1H (0.52) CACNA1HTSHRCYP11B2MAPT
SCHEMBL1398637 0.76 KMO (0.43) KMOALDH1A1POLBTSHRNPC1
SCHEMBL13332359 0.76 KMO (0.43) KMOALDH1A1POLBTSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 WO disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 WO disclosed
EP-2137181-B1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LTD (GB) 2011-03-02 EP disclosed
EP-2137181-B1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LTD (GB) 2011-03-02 EP disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
EP-2137181-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 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 (2 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-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS S1PR1, S1PR3, S1PR2 KMO 2310/4885CACNA1H 1776/4885ALDH1A1 2029/4885
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 KMO 3130/4885CACNA1H 1856/4885ALDH1A1 2182/4885

“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.