SCHEMBL4155652

SCHEMBL4155652

COc1ccc(C=Cc2cccc(Cc3cc(=O)n(C)c(N)n3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.57
RELA Q04206 4/20 0.47
LTB4R Q15722 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NFE2L2 Q16236 2/20 0.41
APP P05067 1/20 0.41
CYP19A1 P11511 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
SCHEMBL4155646 1.00 BACE1 (0.57) BACE1RELALTB4RKDM4EALDH1A1
SCHEMBL4136356 0.93 BACE1 (0.61) BACE1LTB4RCYP19A1
SCHEMBL4136351 0.93 BACE1 (0.61) BACE1LTB4RCYP19A1
SCHEMBL4152976 0.89 BACE1 (0.64) BACE1LTB4RKDM4EALDH1A1LMNA
SCHEMBL4152977 0.89 BACE1 (0.64) BACE1LTB4RKDM4EALDH1A1LMNA
SCHEMBL4150692 0.86 BACE1 (0.57) BACE1KDM4EALDH1A1LMNAMAPT
SCHEMBL4150691 0.86 BACE1 (0.57) BACE1KDM4EALDH1A1LMNAMAPT
SCHEMBL4142853 0.84 BACE1 (0.56) BACE1
SCHEMBL4142855 0.84 BACE1 (0.56) BACE1
SCHEMBL4142589 0.84 BACE1 (0.69) BACE1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US claimed
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 3/4885RELA 3967/4885LTB4R 2429/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885RELA 4438/4885LTB4R 1784/4885

“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.