SCHEMBL3381344

SCHEMBL3381344

COc1ccc(CCN2C(=O)C=CC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 1.00
GSK3B P49841 5/20 1.00
HSP90AA1 P07900 1/20 0.64
MGLL Q99685 2/20 0.59
SIGMAR1 Q99720 1/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
CMA1 P23946 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
DAO P14920 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
PARK7 Q99497 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL3384174 0.81 GSK3A (1.00) GSK3AGSK3BMGLLCMA1ALDH1A1
SCHEMBL6941838 0.80 GSK3A (0.67) GSK3AGSK3BHSP90AA1MGLLCA1
SCHEMBL19419960 0.79 GSK3A (0.66) GSK3AGSK3BHSP90AA1MGLLCA1
SCHEMBL29168851 0.78 RAB9A (0.68) GSK3AGSK3BALDH1A1
SCHEMBL30758623 0.78 RAB9A (0.68) GSK3AGSK3BALDH1A1
SCHEMBL28967239 0.78 GSK3A (0.64) GSK3AGSK3BSIGMAR1CA1CA2
SCHEMBL14678150 0.78 HSP90AA1 (1.00) GSK3AGSK3BHSP90AA1ALDH1A1KMT2A
SCHEMBL10195154 0.78 GSK3A (0.64) GSK3AGSK3BSIGMAR1CMA1HRH3
SCHEMBL20804282 0.77 GSK3A (0.69) GSK3AGSK3BHSP90AA1MGLLCMA1
SCHEMBL12615721 0.76 GSK3A (0.60) GSK3AGSK3BSIGMAR1CMA1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781463-B2 Enzyme inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-08-24 US disclosed
US-7666885-B2 Neurodegenerative disease; anticancer agents; hyperplasia; arterosclerosis; restenosis; non-insulin dependent diabetis; Alzheimer's disease CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2010-02-23 US disclosed
US-20080033012-A1 Enzyme inhibitors COSENJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS, A SPAIN CORPORATION 2008-02-07 US disclosed
US-6872737-B2 Heterocyclic inhibitors of glycogen synthase kinase GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2005-03-29 US disclosed
US-20050014803-A1 Enzyme inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS, A SPAIN CORPORATION 2005-01-20 US disclosed
US-20030195238-A1 Drugs such as 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5 -dione inhibitors of glycogen synthase kinase-3 (GSK-3), for prophylaxis of neurodegenerative disorders, cancer, hyperplasia, psoriasis, arteriosclerosis or restinosis UNIVERSIDAD AUTONOMA DE MADRID (UAM) (ES) 2003-10-16 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 (3 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-20080033012-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3A 2/4885GSK3B 1/4885HSP90AA1 3536/4885
US-20030195238-A1 Drugs such as 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5 -dione inhibitors of glycogen synthase kinase-3 (GSK-3), for prophylaxis of neurodegenerative disorders, cancer, hyperplasia, psoriasis, arteriosclerosis or restinosis GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885HSP90AA1 3493/4885
US-20050014803-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3A 2/4885GSK3B 1/4885HSP90AA1 3536/4885

“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.