SCHEMBL13170685

SCHEMBL13170685

COc1ncc(-c2ccc(-c3cnc4ccccc4n3)cc2)c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.51
MAPT P10636 9/20 0.51
KDM4E B2RXH2 4/20 0.51
RAB9A P51151 8/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
BCHE P06276 1/20 0.50
ALDH1A1 P00352 7/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KMT2A Q03164 5/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
MEN1 O00255 3/20 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
SCHEMBL13191838 0.86 NPC1 (0.51) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL13170756 0.77 NPC1 (0.60) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL710433 0.76 NPC1 (0.71) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL4954320 0.75 NPC1 (0.81) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL13170662 0.74 DHODH (0.57) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL9453978 0.74 NPC1 (0.68) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL13191834 0.74 DHODH (0.60) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL13170666 0.71 NPC1 (0.56) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL24596471 0.70 NPC1 (0.72) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL708285 0.70 NPC1 (0.72) NPC1MAPTKDM4ERAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180043039-A1 Lipid-Based Nanoparticles BOARD OF REGENTS OF THE UNIV OF HOUSTON SYSTEM (US) 2018-02-15 US disclosed
US-9801957-B2 Lipid-based nanoparticles Alzeca Biosciences, LLC 2017-10-31 US disclosed
US-20120258044-A1 LIPID-BASED NANOPARTICLES Alzeca Biosciences, LLC 2012-10-11 US 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 (2 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-20120258044-A1 LIPID-BASED NANOPARTICLES APP, PSEN1, PSEN2 NPC1 30/4885MAPT 9/4885KDM4E 4454/4885
US-20180043039-A1 Lipid-Based Nanoparticles APP, PSEN1, PSEN2 NPC1 30/4885MAPT 9/4885KDM4E 4454/4885

“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.