SCHEMBL10159101

SCHEMBL10159101

Cc1ccc(C(F)(F)CN2C(=O)CC(=O)N(CC(F)(F)c3ccc(C(F)(F)F)cc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSP90AA1 P07900 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KDM1A O60341 1/20 0.37
TRAP1 Q12931 1/20 0.37
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDH1 O75874 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC1 Q13547 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL18250110 0.95 MAPT (0.37) ALDH1A1HSP90AA1MAPTSMN1; SMN2L3MBTL1
SCHEMBL10194733 0.92 TRAP1 (0.41) ALDH1A1TRAP1MAPTSMN1; SMN2L3MBTL1
SCHEMBL18250107 0.90 KMT2A (0.39) ALDH1A1ACHEMAPTL3MBTL1MEN1
SCHEMBL18250108 0.88 MAPT (0.37) ALDH1A1HSP90AA1TRAP1MAPTSMN1; SMN2
SCHEMBL10159469 0.87 ALDH1A1 (0.38) ALDH1A1HSP90AA1BCHEACHETRAP1
SCHEMBL10159303 0.85 HSP90AA1 (0.41) ALDH1A1HSP90AA1BCHEACHETRAP1
SCHEMBL18250154 0.82 MAPT (0.41) ALDH1A1HSP90AA1MAPTSMN1; SMN2L3MBTL1
SCHEMBL18250124 0.82 MAPT (0.37) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL10159094 0.81 MAPT (0.39) ALDH1A1TRAP1MAPTL3MBTL1KDM4E
SCHEMBL18250121 0.81 METAP2 (0.33) ALDH1A1HSP90AA1TRAP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 ALDH1A1 3417/4885HSP90AA1 4385/4885BCHE 1034/4885
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 ALDH1A1 3417/4885HSP90AA1 4385/4885BCHE 1034/4885

“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.