SCHEMBL10159199

SCHEMBL10159199

O=C1CC(=O)N(CC(F)(F)c2ccc(Cl)c(Cl)c2)C(=O)N1CC(F)(F)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 3/20 0.39
RAD51 Q06609 1/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 4/20 0.37
HSP90B1 P14625 1/20 0.35
MEN1 O00255 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 3/20 0.34
USP2 O75604 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
HDAC1 Q13547 1/20 0.33
MDH2 P40926 1/20 0.33

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
SCHEMBL18250109 0.92 RXFP1 (0.35) TRAP1RAD51TSHRKMT2AHSP90B1
SCHEMBL10159323 0.87 KMT2A (0.38) TRAP1RAD51TSHRKMT2AHSP90B1
SCHEMBL10159147 0.83 MEN1 (0.37) TRAP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL18250162 0.82 MAPT (0.34) TRAP1RAD51TSHRKMT2AHSP90B1
SCHEMBL10159193 0.81 KMT2A (0.39) KMT2AMEN1L3MBTL1ALDH1A1ATM
SCHEMBL10159097 0.80 MEN1 (0.35) TRAP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL10194733 0.79 TRAP1 (0.41) TRAP1TSHRKMT2AMEN1L3MBTL1
SCHEMBL10159239 0.78 KMT2A (0.43) TRAP1TSHRKMT2AHSP90B1MEN1
SCHEMBL10159115 0.78 CHRM5 (0.38) TRAP1KMT2AMEN1ATMMAPT
SCHEMBL10159094 0.78 MAPT (0.39) TRAP1KMT2AMEN1L3MBTL1ALDH1A1

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
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
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-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
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

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 TRAP1 742/4885RAD51 681/4885TSHR 4741/4885
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 TRAP1 742/4885RAD51 681/4885TSHR 4741/4885

“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.