SCHEMBL4142013

SCHEMBL4142013

Cn1c(N)nc(CCc2ccc(OCc3ccccc3)cc2)cc1=O

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.77
XDH P47989 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
GSK3B P49841 1/20 0.44
MCHR1 Q99705 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL4142484 0.88 BACE1 (1.00) BACE1GSK3BMEN1KMT2A
SCHEMBL4155730 0.84 BACE1 (0.66) BACE1GSK3B
SCHEMBL13711084 0.82 BACE1 (0.62) BACE1
SCHEMBL4143592 0.81 BACE1 (0.62) BACE1GSK3B
SCHEMBL4141958 0.80 BACE1 (1.00) BACE1HRH3
SCHEMBL4141182 0.80 BACE1 (0.74) BACE1
SCHEMBL8265013 0.79 BACE1 (0.68) BACE1
SCHEMBL4142172 0.78 BACE1 (1.00) BACE1
SCHEMBL4148180 0.77 BACE1 (0.74) BACE1
SCHEMBL4149077 0.77 BACE1 (0.97) BACE1

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-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
US-20090042041-A1 PYRROLYL COMPLEXES OF COPPER FOR COPPER METAL DEPOSITION E. I. DUPONT DE NEMOURS AND COMPANY (US) 2009-02-12 US disclosed
CN-101084199-A Substituted amino-compounds and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
CN-101084198-A Substituted amino-pyrimidones and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN 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 (3 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 951/4885HRH3 908/4885
US-20090042041-A1 PYRROLYL COMPLEXES OF COPPER FOR COPPER METAL DEPOSITION SOD1, ADH1C, AOC3 BACE1 2621/4885XDH 289/4885HRH3 4482/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885XDH 259/4885HRH3 1501/4885

“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.