SCHEMBL4253987

SCHEMBL4253987

O=C(Nc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60
GFER P55789 1/20 0.60
KMT2A Q03164 1/20 0.60
CNR1 P21554 1/20 0.58
ALDH1A1 P00352 2/20 0.56
CLK1 P49759 1/20 0.56
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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 0.89 CNR1 (0.72) NPC1RAB9ASMN1; SMN2CNR1ALDH1A1
SCHEMBL14396735 0.89 MAOA (0.53) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4252873 0.85 CNR1 (0.63) NPC1RAB9ASMN1; SMN2CNR1ALDH1A1
SCHEMBL4253988 0.82 MAOA (0.65) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4252999 0.82 CNR1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29432459 0.82 CNR1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14396584 0.80 CNR1 (0.53) MAOAMAOBNPC1RAB9ACNR1
SCHEMBL30944353 0.77 CNR1 (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28529053 0.77 CNR1 (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14396571 0.77 LDHA (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 7 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
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 MAOA 3863/4885MAOB 3132/4885NPC1 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.