SCHEMBL13615437

SCHEMBL13615437

COC(=O)c1c(C)noc1-c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
NPC1 O15118 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTT P42858 1/20 0.56
PTGS1 P23219 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 7/20 0.51
ALDH1A1 P00352 2/20 0.51
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
BACE1 P56817 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 5/20 0.44
MDM2 Q00987 1/20 0.44
SLC6A4 P31645 1/20 0.43

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
SCHEMBL29908046 0.87 HTT (0.57) MAPTNPC1NPSR1HTTPTGS1
SCHEMBL14789793 0.87 HTT (0.57) MAPTNPC1NPSR1HTTPTGS1
SCHEMBL17736161 0.85 ALDH1A1 (0.56) MAPTNPC1HTTPTGS1L3MBTL1
SCHEMBL13438 0.85 PTGS1 (0.69) MAPTNPC1NPSR1HTTPTGS1
SCHEMBL13615432 0.85 LMNA (0.57) MAPTNPC1NPSR1HTTPTGS1
SCHEMBL1883 0.85 RAB9A (0.57) MAPTNPC1NPSR1HTTPTGS1
SCHEMBL16502243 0.85 PTGS1 (0.73) MAPTHTTPTGS1LMNAALDH1A1
SCHEMBL3708852 0.85 HTT (0.52) MAPTNPC1NPSR1HTTPTGS1
SCHEMBL2761325 0.83 HTT (0.51) MAPTNPC1NPSR1HTTPTGS1
SCHEMBL11518747 0.83 MAPT (0.51) MAPTNPC1NPSR1L3MBTL1LMNA

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-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 MAPT 96/4885NPC1 531/4885NPSR1 2186/4885

“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.