SCHEMBL10195155

SCHEMBL10195155

COc1ccc(CCN2C(=O)CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.67
ALDH1A1 P00352 9/20 0.64
MAPT P10636 4/20 0.64
PAX8 Q06710 1/20 0.62
HTT P42858 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.59
MAPK1 P28482 3/20 0.59
GAA P10253 3/20 0.56
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL10159070 0.95 ALDH1A1 (0.62) HSP90AA1ALDH1A1MAPTPAX8HTT
SCHEMBL5127911 0.83 HSP90AA1 (0.60) HSP90AA1ALDH1A1MAPTPAX8HTT
SCHEMBL2593843 0.82 ALDH1A1 (0.64) HSP90AA1ALDH1A1MAPTPAX8HTT
SCHEMBL10195154 0.80 GSK3A (0.64) ALDH1A1MAPTHTTGAAKMT2A
SCHEMBL14678150 0.80 HSP90AA1 (1.00) HSP90AA1ALDH1A1MAPTPAX8HTT
SCHEMBL4285168 0.79 HSP90AA1 (0.61) HSP90AA1ALDH1A1MAPTPAX8HTT
SCHEMBL8141222 0.77 HSP90AA1 (0.59) HSP90AA1ALDH1A1MAPTPAX8HTT
SCHEMBL4400604 0.77 PAX8 (1.00) HSP90AA1ALDH1A1MAPTPAX8HTT
SCHEMBL8777049 0.77 LMNA (0.72) HSP90AA1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL10841016 0.76 ALDH1A1 (0.52) HSP90AA1ALDH1A1MAPTPAX8HTT

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
EP-3144299-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Cambria Pharmaceuticals, Inc. (US) 2017-03-22 EP disclosed
US-9499494-B2 Pyrimidine-2,4,6-triones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2016-11-22 US disclosed
EP-2427438-B1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS INC (US) 2016-10-12 EP disclosed
US-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2015-07-23 US disclosed
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NORTHWESTERN UNIVERSITY (US) 2012-02-23 US disclosed
WO-2010129665-A2 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2010-11-11 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-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 HSP90AA1 4385/4885ALDH1A1 3417/4885MAPT 6/4885
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 HSP90AA1 4385/4885ALDH1A1 3417/4885MAPT 6/4885

“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.