SCHEMBL4142212

SCHEMBL4142212

Nc1nc(CCc2ccc(OCc3ccccc3)cc2)cc(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.76
XDH P47989 10/20 0.72
PNP P00491 1/20 0.50
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4141928 0.87 BACE1 (1.00) BACE1XDHSMN1; SMN2L3MBTL1
SCHEMBL4149619 0.84 XDH (1.00) BACE1XDH
SCHEMBL4142991 0.79 BACE1 (0.74) BACE1XDH
SCHEMBL8265140 0.78 BACE1 (0.67) BACE1XDH
SCHEMBL4142291 0.77 BACE1 (0.75) BACE1XDHMAPTSMN1; SMN2
SCHEMBL4134277 0.77 BACE1 (0.79) BACE1XDH
SCHEMBL4149108 0.77 XDH (0.77) BACE1XDHMAOBL3MBTL1
SCHEMBL4142013 0.76 BACE1 (0.77) BACE1XDHFFAR1FFAR4
SCHEMBL4142794 0.76 BACE1 (0.73) BACE1XDHMAPTSMN1; SMN2
SCHEMBL4146920 0.76 BACE1 (0.68) BACE1XDHSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1802587-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 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 (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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 BACE1 3/4885XDH 951/4885PNP 1833/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885XDH 259/4885PNP 64/4885

“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.