SCHEMBL4252873

SCHEMBL4252873

CC(=O)Nc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.63
RAB9A P51151 8/20 0.58
NPC1 O15118 5/20 0.58
LDHA P00338 2/20 0.58
CLK1 P49759 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
DYRK1A Q13627 7/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
FSCN1 Q16658 1/20 0.53
PDPK1 O15530 1/20 0.53
HTT P42858 1/20 0.51

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
SCHEMBL13778842 0.93 CNR1 (0.72) CNR1RAB9ANPC1LDHACLK1
SCHEMBL14396571 0.86 LDHA (0.48) CNR1RAB9ANPC1LDHACLK1
SCHEMBL29432459 0.85 CNR1 (0.64) CNR1RAB9ANPC1SMN1; SMN2DYRK1A
SCHEMBL4253987 0.85 MAOA (0.61) CNR1RAB9ANPC1CLK1SMN1; SMN2
SCHEMBL4252999 0.85 CNR1 (0.64) CNR1RAB9ANPC1SMN1; SMN2DYRK1A
SCHEMBL30944353 0.81 CNR1 (0.70) CNR1RAB9ANPC1CLK1SMN1; SMN2
SCHEMBL28529053 0.81 CNR1 (0.70) CNR1RAB9ANPC1CLK1SMN1; SMN2
SCHEMBL4920969 0.80 NPC1 (0.75) CNR1RAB9ANPC1SMN1; SMN2DYRK1A
SCHEMBL14396584 0.79 CNR1 (0.53) CNR1RAB9ANPC1LDHACLK1
SCHEMBL963747 0.79 CLK1 (0.76) CNR1RAB9ANPC1CLK1SMN1; 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 8 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
US-20090170914-A1 Cermide Kinase Modulation BORNANCIN FREDERIC 2009-07-02 US disclosed
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 CNR1 111/4885RAB9A 566/4885NPC1 247/4885

“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.