SCHEMBL4147572

SCHEMBL4147572

CC(c1ccccc1)c1cc(=O)n(C)c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.50
KDM4E B2RXH2 1/20 0.46
PSD A5PKW4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
DAO P14920 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL4149271 0.75 BACE1 (0.60) BACE1KDM4ESMN1; SMN2HTT
SCHEMBL4493177 0.71 BACE1 (0.63) BACE1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4149124 0.71 BACE1 (0.76) BACE1KDM4EPSDCYP3A4HSD17B10
SCHEMBL28505449 0.70 NCF1 (0.54) BACE1KDM4ESMN1; SMN2HTTKMT2A
SCHEMBL28849339 0.69 NUDT1 (0.43) BACE1KMT2A
SCHEMBL27966111 0.68 KMT2A (0.40) BACE1KMT2A
SCHEMBL4639744 0.68 BACE1 (0.41) BACE1KDM4EKMT2A
SCHEMBL6403829 0.67 BACE1 (0.49) BACE1KDM4E
SCHEMBL4148126 0.67 BACE1 (0.57) BACE1KDM4ESMN1; SMN2KMT2AHSD17B10
SCHEMBL4142484 0.67 BACE1 (1.00) BACE1KDM4EKMT2A

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 2 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

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 3/4885KDM4E 3305/4885PSD 250/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885KDM4E 3237/4885PSD 571/4885

“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.