SCHEMBL2276349

SCHEMBL2276349

CCc1c(C=O)nn(C)c1Oc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK14 Q16539 1/20 0.35
NPBWR1 P48145 3/20 0.34
MCHR1 Q99705 3/20 0.34
RAB9A P51151 1/20 0.34
LTA4H P09960 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 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
SCHEMBL2279331 0.77 ALDH1A1 (0.45) SMN1; SMN2MAPTKDM4ELMNAALDH1A1
SCHEMBL12373448 0.77 ALDH1A1 (0.39) SMN1; SMN2HTTMAPTKDM4ELMNA
SCHEMBL4108323 0.74 KDM4E (0.36) SMN1; SMN2HTTMAPTKDM4ELMNA
SCHEMBL4120589 0.74 KDM4E (0.38) SMN1; SMN2HTTMAPTKDM4ELMNA
SCHEMBL4130076 0.73 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPTKDM4ELMNA
SCHEMBL1706898 0.70 KDM4E (0.41) SMN1; SMN2HTTMAPTKDM4ELMNA
SCHEMBL12806867 0.70 ALDH1A1 (0.46) SMN1; SMN2HTTMAPTKDM4ELMNA
SCHEMBL13466282 0.69 PDE2A (0.33) SMN1; SMN2MAPTKDM4ELMNACYP2C9
SCHEMBL30995709 0.69 ALDH1A1 (0.57) SMN1; SMN2HTTMAPTKDM4ELMNA
SCHEMBL13242970 0.69 ALDH1A1 (0.45) SMN1; SMN2HTTMAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 SMN1; SMN2 3091/4885HTT 4589/4885MAPT 3475/4885

“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.