SCHEMBL3024027

SCHEMBL3024027

CC(=O)OCCOc1ccc(C)nc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 15/20 0.64
NPC1 O15118 5/20 0.64
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 4/20 0.63
LMNA P02545 3/20 0.63
HPGD P15428 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL3014193 0.83 S1PR4 (0.45) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3018672 0.83 S1PR4 (0.47) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16900169 0.78 ALDH1A1 (0.62) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7011056 0.78 NPC1 (0.67) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3016577 0.75 LMNA (0.43) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18952487 0.73 S1PR4 (0.62) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13603899 0.73 ALDH1A1 (0.60) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL187354 0.73 NPC1 (0.64) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22117070 0.71 RAB9A (0.73) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL8790468 0.71 NPC1 (0.57) S1PR4NPC1RAB9ASMN1; SMN2MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase WYETH LLC (US) 2010-08-12 US disclosed
US-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase WYETH LLC (US) 2010-08-12 US disclosed
US-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase WYETH LLC (US) 2010-08-12 US disclosed
US-7732457-B2 Amino-pyridines as inhibitors of β-secretase WYETH LLC (US) 2010-06-08 US disclosed
US-7732457-B2 Amino-pyridines as inhibitors of β-secretase WYETH LLC (US) 2010-06-08 US disclosed
US-7732457-B2 Amino-pyridines as inhibitors of β-secretase WYETH LLC (US) 2010-06-08 US disclosed
EP-1844035-A1 AMINO-PYRIDINES AS INHIBITORS OF BETA-SECRETASE Wyeth (US) 2007-10-17 EP disclosed
WO-2006083760-A1 AMINO-PYRIDINES AS INHIBITORS OF β-SECRETASE WYETH (US) 2006-08-10 WO disclosed
WO-2006083760-A1 AMINO-PYRIDINES AS INHIBITORS OF β-SECRETASE WYETH (US) 2006-08-10 WO disclosed
US-20060173049-A1 enzyme inhibitors such as 6-{2-(2-Chloro-phenyl)-5-[4-(pyrimidin-2-yloxy)-phenyl]pyrrol-1-ylmethyl}-pyridin-2-ylamine, used to treat beta-amyloid deposits and neurofibrillary tangles; Alzheimer's disease WYETH (US) 2006-08-03 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-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase BACE1, BACE2, APP S1PR4 4264/4885NPC1 493/4885RAB9A 2339/4885
US-20060173049-A1 enzyme inhibitors such as 6-{2-(2-Chloro-phenyl)-5-[4-(pyrimidin-2-yloxy)-phenyl]pyrrol-1-ylmethyl}-pyridin-2-ylamine, used to treat beta-amyloid deposits and neurofibrillary tangles; Alzheimer's disease BACE1, BACE2, PSEN1 S1PR4 3091/4885NPC1 365/4885RAB9A 3364/4885

“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.