SCHEMBL3899280

SCHEMBL3899280

O=C(OCCC(O)(CN(C(=O)CCl)c1ccccc1)c1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
PAX8 Q06710 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 4/20 0.34
JAK2 O60674 2/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
MITF O75030 1/20 0.32

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
SCHEMBL3900035 0.95 ALDH1A1 (0.34) ALDH1A1NPC1RAB9APAX8HTT
SCHEMBL3899855 0.93 CETP (0.36) ALDH1A1NPC1RAB9APAX8HTT
SCHEMBL3899975 0.91 LMNA (0.34) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL3900002 0.88 NPC1 (0.38) ALDH1A1NPC1RAB9APAX8HTT
SCHEMBL5182593 0.82 ALDH1A1 (0.45) ALDH1A1NPC1RAB9APAX8HTT
SCHEMBL3909047 0.80 TDP1 (0.43) ALDH1A1NPC1RAB9AKMT2ATDP1
Hydrochloric Acid SCHEMBL6949561 0.79 TDP1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4630752 0.78 TDP1 (0.38) ALDH1A1NPC1RAB9AKMT2ATDP1
SCHEMBL3907379 0.76 NPC1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4630209 0.73 TDP1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521449-B2 4-arylmorpholin-3-one derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-04-21 US disclosed
US-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-21 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 (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-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF ADRB3, ADRA2C, OPRK1 ALDH1A1 503/4885NPC1 625/4885RAB9A 2712/4885

“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.