SCHEMBL3380287

SCHEMBL3380287

O=C1C=CC(=O)N1CCCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 1.00
GSK3B P49841 4/20 1.00
MGLL Q99685 7/20 0.96
FAAH O00519 4/20 0.96
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ALDH1A1 P00352 2/20 0.63
PKM P14618 2/20 0.63
HSP90AA1 P07900 1/20 0.63
TLR9 Q9NR96 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 1/20 0.63
HPGD P15428 1/20 0.63
XBP1 P17861 1/20 0.63
MAPK1 P28482 1/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL9816491 1.00 GSK3A (1.00) GSK3AGSK3BMGLLFAAHTDP1
SCHEMBL10717597 0.93 GSK3A (0.87) GSK3AGSK3BMGLLFAAHTDP1
SCHEMBL3380286 0.92 GSK3A (1.00) GSK3AGSK3BMGLLFAAHTDP1
SCHEMBL211905 0.84 GSK3A (1.00) GSK3AGSK3BMGLLFAAHL3MBTL1
SCHEMBL14332585 0.80 MGLL (0.69) GSK3AGSK3BMGLLFAAHTDP1
SCHEMBL5093425 0.80 TDP1 (1.00) GSK3AGSK3BMGLLFAAHTDP1
SCHEMBL9219707 0.80 TDP1 (1.00) GSK3AGSK3BMGLLFAAHTDP1
SCHEMBL31035964 0.80 TDP1 (1.00) GSK3AGSK3BMGLLFAAHTDP1
SCHEMBL29263641 0.80 TDP1 (1.00) GSK3AGSK3BMGLLFAAHTDP1
SCHEMBL8434811 0.80 TDP1 (1.00) GSK3AGSK3BMGLLFAAHTDP1

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 1/4885MGLL 1555/4885
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 1/4885MGLL 3880/4885
US-20050014803-A1 Enzyme inhibitors GSK3B, GSK3A, IDE GSK3A 2/4885GSK3B 1/4885MGLL 1555/4885

“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.