SCHEMBL5425612

SCHEMBL5425612

CC(=O)Nc1ccc(Cc2ccc3c(c2)/C(=C\Nc2cccc(O)c2)C(=O)N3)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.50
LRRK2 Q5S007 1/20 0.48
NLRP3 Q96P20 1/20 0.47
PDPK1 O15530 3/20 0.46
AKT2 P31751 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
NOX4 Q9NPH5 1/20 0.43
JAK3 P52333 1/20 0.42
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
NTRK3 Q16288 1/20 0.40
TGM2 P21980 1/20 0.39

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
SCHEMBL4704718 1.00 GSK3B (0.50) GSK3BLRRK2NLRP3PDPK1AKT2
SCHEMBL4756702 0.94 GSK3B (0.50) GSK3BLRRK2NLRP3PDPK1AKT2
SCHEMBL4756700 0.94 GSK3B (0.50) GSK3BLRRK2NLRP3PDPK1AKT2
SCHEMBL4759187 0.86 ALDH1A1 (0.45) GSK3BPDPK1AKT2ALDH1A1CYP1A2
SCHEMBL4759184 0.85 AKT2 (0.43) GSK3BPDPK1AKT2ALDH1A1CYP1A2
SCHEMBL5432249 0.85 GSK3B (0.47) GSK3BLRRK2PDPK1AKT2NOX4
SCHEMBL4705861 0.85 GSK3B (0.47) GSK3BLRRK2PDPK1AKT2NOX4
SCHEMBL3582428 0.83 ALDH1A1 (0.44) GSK3BPDPK1AKT2ALDH1A1CYP1A2
SCHEMBL5434768 0.83 NOX4 (0.53) GSK3BLRRK2PDPK1AKT2NOX4
SCHEMBL4705206 0.83 NOX4 (0.53) GSK3BLRRK2PDPK1AKT2NOX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 GSK3B 478/4885LRRK2 636/4885NLRP3 4725/4885

“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.