SCHEMBL4255595

SCHEMBL4255595

COc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.73
HTT P42858 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
ALDH1A1 P00352 5/20 0.72
RXFP1 Q9HBX9 4/20 0.72
SCD O00767 7/20 0.69
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
TDP1 Q9NUW8 2/20 0.64
ATM Q13315 1/20 0.64
MAPT P10636 3/20 0.61
POLB P06746 2/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.56
THRB P10828 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ABL1 P00519 1/20 0.56

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
SCHEMBL24729350 0.87 KDM4E (0.75) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL29947616 0.87 KDM4E (0.75) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL2686124 0.87 KDM4E (0.75) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL18250799 0.86 KDM4E (0.73) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL15063066 0.86 KDM4E (0.73) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL22130146 0.86 SCD (0.87) KDM4EALDH1A1RXFP1SCDRAB9A
SCHEMBL31219331 0.86 SCD (0.87) KDM4EALDH1A1RXFP1SCDRAB9A
SCHEMBL15063079 0.85 MAPT (0.73) KDM4EHTTL3MBTL1ALDH1A1RXFP1
SCHEMBL4912185 0.85 SCD (0.73) KDM4EHTTALDH1A1RXFP1SCD
SCHEMBL7127611 0.82 NPC1 (0.71) KDM4EALDH1A1RXFP1SCDRAB9A

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.