SCHEMBL7671786

SCHEMBL7671786

CCCCC(NC(=O)C(C)Nc1nc2ccccc2s1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.52
RAB9A P51151 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
STAT1 P42224 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPK1 P28482 2/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 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
SCHEMBL7671781 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7680226 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8420243 0.90 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7677141 0.77 HDAC4 (0.47) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL7677293 0.77 HDAC4 (0.47) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL7677145 0.77 HDAC4 (0.47) RAB9ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL22040021 0.75 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4908419 0.73 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4455522 0.72 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4455524 0.72 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2

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-6495693-B2 TREATMENT OF ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-12-17 US disclosed
US-20010020097-A1 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS AUDIA JAMES E (US) 2001-09-06 US disclosed
US-6096782-A N-(aryl/heteroaryl) amino acid derivatives pharmaceutical compositions comprising same and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2000-08-01 US disclosed
CN-1237978-A N (aryl/heteroaryl) amino acid derivatives, pharmaceutical compositions comprising same, and method for inhibiting 'beta'-amyloid peptide release and/or its synthesis by use of such compounds YEELAN PHARMACEUTICAL CORP (US) 1999-12-08 CN disclosed
EP-0942923-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022493-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 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-20010020097-A1 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS APP, BACE1, IAPP NPC1 112/4885RAB9A 1764/4885SMN1; SMN2 1398/4885

“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.