SCHEMBL828896

SCHEMBL828896

O=C(O)NC(Cc1ccccc1)C(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.51
BACE1 P56817 3/20 0.44
SLC6A11 P48066 1/20 0.44
CTRB1 P17538 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CES2 O00748 1/20 0.42
LMNA P02545 1/20 0.42
CES1 P23141 1/20 0.42
BCHE P06276 1/20 0.41
EPHX1 P07099 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL828359 0.75 CYP1A1 (0.43) MDM2BACE1SLC6A11CTRB1TDP1
SCHEMBL4728419 0.75 NPC1 (0.50) MDM2BACE1SLC6A11CTRB1L3MBTL1
SCHEMBL9012913 0.74 BACE1 (0.50) BACE1SLC6A11BCHENPC1RAB9A
SCHEMBL7305633 0.73 BACE1 (0.60) BACE1SLC6A11BCHE
SCHEMBL7306846 0.73 BACE1 (0.60) BACE1SLC6A11BCHE
SCHEMBL3908524 0.72 BACE1 (0.60) BACE1SLC6A11L3MBTL1BCHE
SCHEMBL5433814 0.72 BACE1 (0.60) BACE1SLC6A11L3MBTL1BCHE
SCHEMBL5433822 0.72 BACE1 (0.60) BACE1SLC6A11L3MBTL1BCHE
SCHEMBL15848484 0.72 ALPI (0.52) CTRB1EPHX1NPC1RAB9A
SCHEMBL15848486 0.72 ALPI (0.52) CTRB1EPHX1NPC1RAB9A

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-8143437-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2012-03-27 US disclosed
US-7560483-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2009-07-14 US disclosed
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. 2005-10-27 US disclosed
US-6927036-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XERO PORT, INC. (US) 2005-08-09 US disclosed
EP-1485082-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF Xenoport, Inc. (US) 2004-12-15 EP disclosed
WO-2003077902-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF XENOPORT, INC. (US) 2003-09-25 WO disclosed
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof ARBOR PHARMACEUTICALS, LLC 2003-09-11 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-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, AGPAT5 MDM2 3494/4885BACE1 1108/4885SLC6A11 1855/4885
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, ABHD5 MDM2 3516/4885BACE1 1102/4885SLC6A11 1914/4885

“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.