SCHEMBL4138874

SCHEMBL4138874

CNC1=NC(C)(c2cccc(-c3cccc(OC)c3)c2)CC(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.57
KCNH2 Q12809 6/20 0.49
PGR P06401 2/20 0.44
BACE2 Q9Y5Z0 2/20 0.43
CHEK1 O14757 1/20 0.43
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CTSD P07339 1/20 0.41

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
SCHEMBL5336555 1.00 BACE1 (0.57) BACE1KCNH2PGRBACE2CHEK1
SCHEMBL4142578 0.84 BACE1 (0.65) BACE1KCNH2BACE2CTSD
SCHEMBL21067614 0.73 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL4141578 0.73 BACE1 (1.00) BACE1KCNH2BACE2CTSD
SCHEMBL13914790 0.72 BACE1 (0.51) BACE1KCNH2BACE2NCOA1NCOA3
SCHEMBL4151433 0.71 BACE1 (0.61) BACE1KCNH2NCOA1NCOA3CTSD
SCHEMBL4155460 0.70 BACE1 (0.53) BACE1KCNH2
SCHEMBL8240666 0.69 BACE1 (0.58) BACE1KCNH2BACE2
SCHEMBL4142744 0.68 BACE1 (0.70) BACE1KCNH2CTSD
SCHEMBL4136911 0.67 BACE1 (0.89) BACE1BACE2CTSD

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 8 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
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-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2009005460-A1 SMALL MOLECULE INHIBITORS OF NAVL.7 SODIUM CHANNELS FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-01-08 WO 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 3/4885KCNH2 4675/4885PGR 4813/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885KCNH2 4460/4885PGR 3803/4885

“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.