SCHEMBL4517534

SCHEMBL4517534

CSc1ncnc2cc(OCCCC(=O)N3CCN(C(C)=O)CC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.43
PDE3A Q14432 6/20 0.43
EPHX2 P34913 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
P2RY12 Q9H244 2/20 0.41
PDE2A O00408 1/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4494851 0.89 ALDH1A1 (0.52) CYP1A2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4500426 0.87 DRD3 (0.55) EPHX2GRM4
SCHEMBL4493140 0.84 HRH2 (0.48) PDE3BPDE3ASMN1; SMN2ALDH1A1HTT
SCHEMBL6603854 0.75 SMN1; SMN2 (0.39) PDE3BPDE3ASMN1; SMN2MAPTKMT2A
SCHEMBL4426235 0.73 BRAF (0.46) HPGD
SCHEMBL4497789 0.72 KDM1A (0.38) CYP1A2CYP2C9CYP2C19RAB9ASMN1; SMN2
SCHEMBL4424613 0.72 AURKA (0.55) CYP1A2ALDH1A1HTTLMNAGRM4
Hydrochloric Acid SCHEMBL4507044 0.71 CHEK1 (0.58) PDE3BPDE3AEPHX2P2RY12PDE2A
SCHEMBL4511733 0.69 KDM1A (0.49)
SCHEMBL4507585 0.68 TSHR (0.53) CYP1A2NPC1ALDH1A1

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-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2005-03-31 US claimed
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO claimed
US-20090312322-A1 Use of Oxindole Derivatives in the Treatment of Dementia Related Diseases, Alzheimer's Disease and Conditions Associated with Glycogen Synthase Kinase-3 ASTRAZENECA AB (SE) 2009-12-17 US disclosed
EP-1458394-B1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2008-10-22 EP disclosed
US-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 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-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 GSK3A, GSK3B, PYGB PDE3B 595/4885PDE3A 406/4885EPHX2 3251/4885
US-20090312322-A1 Use of Oxindole Derivatives in the Treatment of Dementia Related Diseases, Alzheimer's Disease and Conditions Associated with Glycogen Synthase Kinase-3 GSK3A, GSK3B, PSEN1 PDE3B 592/4885PDE3A 451/4885EPHX2 3365/4885

“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.