SCHEMBL4253113

SCHEMBL4253113

NC(=O)c1c[c]cc2sc(NC(=O)c3ccccc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SCD O00767 6/20 0.49
LRRK2 Q5S007 1/20 0.47
PKM P14618 1/20 0.47
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK8 P45983 1/20 0.44
DUSP3 P51452 1/20 0.44
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL4255589 0.81 KDM4E (0.59) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4250094 0.81 DYRK1A (0.48) NPC1RAB9ASMN1; SMN2ADORA1
SCHEMBL8277824 0.78 NPC1 (0.71) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4246631 0.72 CNR1 (0.54) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4250864 0.71 PDPK1 (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1TDP1
SCHEMBL4961093 0.70 KMT2A (0.67) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5713545 0.70 MAPT (0.67) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL3053529 0.70 NPC1 (1.00) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4638534 0.70
SCHEMBL16562119 0.69 NPC1 (0.80) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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 NPC1 247/4885RAB9A 566/4885KMT2A 2144/4885

“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.