SCHEMBL4255589

SCHEMBL4255589

COc1ccc(C(=O)Nc2nc3c(C(N)=O)c[c]cc3s2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 3/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
FLT3 P36888 2/20 0.51
DUSP3 P51452 3/20 0.51
MAPK1 P28482 1/20 0.49
DYRK1A Q13627 1/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
PTGER3 P43115 1/20 0.47
TBK1 Q9UHD2 1/20 0.46

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
SCHEMBL4253113 0.81 NPC1 (0.53) KDM4ERAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4250094 0.77 DYRK1A (0.48) HTTRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL5334253 0.76 KDM4E (0.70) KDM4EHTTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL1353349 0.74 KDM4E (0.81) KDM4EHTTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL4255595 0.74 KDM4E (0.73) KDM4EHTTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL24729350 0.73 KDM4E (0.75) KDM4EHTTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL29947616 0.73 KDM4E (0.75) KDM4EHTTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL2686124 0.73 KDM4E (0.75) KDM4EHTTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL15063066 0.72 KDM4E (0.73) KDM4EHTTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL18250799 0.72 KDM4E (0.73) KDM4EHTTL3MBTL1RAB9ASMN1; SMN2

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
US-20090170914-A1 Cermide Kinase Modulation BORNANCIN FREDERIC 2009-07-02 US claimed
EP-2004617-A2 CERAMIDE KINASE MODULATION Novartis AG (CH) 2008-12-24 EP claimed
WO-2007112914-A2 CERAMIDE KINASE MODULATION NOVARTIS AG (CH) 2007-10-11 WO claimed
US-20090170914-A1 Cermide Kinase Modulation BORNANCIN FREDERIC 2009-07-02 US disclosed
EP-2004617-A2 CERAMIDE KINASE MODULATION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007112914-A2 CERAMIDE KINASE MODULATION NOVARTIS AG (CH) 2007-10-11 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-20090170914-A1 Cermide Kinase Modulation CERS2, CHKB, SPHK2 KDM4E 1374/4885HTT 4793/4885L3MBTL1 3139/4885

“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.