SCHEMBL4142853

SCHEMBL4142853

CN(C)Cc1ccc(/C=C/c2cccc(Cc3cc(=O)n(C)c(N)n3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.56
HDAC4 P56524 1/20 0.39
MEF2D Q14814 1/20 0.39
PLK4 O00444 2/20 0.37
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
AURKB Q96GD4 2/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL4142855 1.00 BACE1 (0.56) BACE1HDAC4MEF2DPLK4HDAC3
SCHEMBL4152976 0.88 BACE1 (0.64) BACE1
SCHEMBL4152977 0.88 BACE1 (0.64) BACE1
SCHEMBL4150692 0.85 BACE1 (0.57) BACE1
SCHEMBL4150691 0.85 BACE1 (0.57) BACE1
SCHEMBL4155652 0.84 BACE1 (0.57) BACE1
SCHEMBL4155646 0.84 BACE1 (0.57) BACE1
SCHEMBL4136356 0.81 BACE1 (0.61) BACE1
SCHEMBL4136351 0.81 BACE1 (0.61) BACE1
SCHEMBL4139412 0.80 BACE1 (0.57) BACE1NR1H4

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 3/4885HDAC4 3320/4885MEF2D 4504/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885HDAC4 4059/4885MEF2D 4541/4885

“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.