SCHEMBL13615432

SCHEMBL13615432

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.56
PTGS1 P23219 2/20 0.54
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 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) LMNAHTTPTGS1NPC1RAB9A
SCHEMBL14789793 0.87 HTT (0.57) LMNAHTTPTGS1NPC1SMN1; SMN2
SCHEMBL31526126 0.86 ALDH1A1 (0.59) LMNAHTTNPC1SMN1; SMN2RAB9A
SCHEMBL17736161 0.85 ALDH1A1 (0.56) HTTPTGS1NPC1RAB9AMAPT
SCHEMBL13438 0.85 PTGS1 (0.69) LMNAHTTPTGS1NPC1SMN1; SMN2
SCHEMBL1883 0.85 RAB9A (0.57) LMNAHTTPTGS1NPC1SMN1; SMN2
SCHEMBL13615437 0.85 MAPT (0.57) LMNAHTTPTGS1NPC1SMN1; SMN2
SCHEMBL16502243 0.85 PTGS1 (0.73) LMNAHTTPTGS1SMN1; SMN2MAPT
SCHEMBL8060534 0.85 HTT (0.52) HTTPTGS1NPC1MAPTNPSR1
SCHEMBL13615438 0.83 HTT (0.54) LMNAHTTPTGS1NPC1RAB9A

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-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

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 LMNA 961/4885HTT 453/4885PTGS1 782/4885

“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.