SCHEMBL2435245

SCHEMBL2435245

O=C(OCc1ccccc1)N1CCOc2cc(O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
P2RX4 Q99571 2/20 0.46
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46
GRM5 P41594 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
NAAA Q02083 3/20 0.43
NOTUM Q6P988 1/20 0.43
MAPT P10636 1/20 0.42
FAAH O00519 1/20 0.42
DGAT1 O75907 1/20 0.42
TP53 P04637 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL8446716 0.88 NPC1 (0.51) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL31542297 0.88 NPC1 (0.51) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL16193419 0.87 RAB9A (0.61) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL20625743 0.85 NPC1 (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL8446674 0.84 NPC1 (0.47) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL25734268 0.81 NPC1 (0.49) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL25734267 0.81 NPC1 (0.49) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL16193614 0.81 MAPT (0.56) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL11681599 0.79 NAAA (0.60) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL15052260 0.78 NPC1 (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor NOVARTIS AG (CH) 2012-07-05 US disclosed
EP-1945217-B1 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2012-05-02 EP disclosed
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US disclosed
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed
US-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor NOVARTIS AG 2008-12-11 US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 US disclosed
EP-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP disclosed
EP-1794149-A2 BICYCLIC AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2007031265-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2007-03-22 WO disclosed
WO-2006059234-A2 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-08 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 (4 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-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor KDR, FLT4, FLT1 NPC1 1208/4885RAB9A 3765/4885L3MBTL1 4711/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 NPC1 2499/4885RAB9A 1861/4885L3MBTL1 3774/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 NPC1 2676/4885RAB9A 1808/4885L3MBTL1 3875/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 NPC1 1208/4885RAB9A 3765/4885L3MBTL1 4711/4885

“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.