SCHEMBL13615425

SCHEMBL13615425

CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)noc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
ATM Q13315 1/20 0.53
THRB P10828 1/20 0.53
POLB P06746 3/20 0.50
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48

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
SCHEMBL4344964 0.84 KDM4E (0.53) HTTKMT2AL3MBTL1MEN1NPC1
SCHEMBL2775071 0.83 GAA (0.64) HTTL3MBTL1ATMPOLBALDH1A1
SCHEMBL11518656 0.83 PTGS2 (0.51) HTTKMT2AL3MBTL1MEN1NPC1
SCHEMBL13615398 0.81 SMN1; SMN2 (0.64) L3MBTL1ATMPOLBALDH1A1GAA
SCHEMBL2923610 0.81 ATM (0.64) HTTKMT2AL3MBTL1MEN1NPC1
SCHEMBL535772 0.81 NPC1 (0.53) HTTKMT2AL3MBTL1MEN1NPC1
SCHEMBL3294932 0.80 POLB (0.57) HTTKMT2AL3MBTL1MEN1NPC1
SCHEMBL899656 0.80 ALDH1A1 (0.45) HTTKMT2AL3MBTL1MEN1NPC1
SCHEMBL2923341 0.80 SMN1; SMN2 (0.62) HTTKMT2AL3MBTL1MEN1NPC1
SCHEMBL2776267 0.79 TSHR (0.70) HTTKMT2AL3MBTL1MEN1NPC1

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 5 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-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 HTT 453/4885KMT2A 3022/4885L3MBTL1 1995/4885

“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.