SCHEMBL21114857

SCHEMBL21114857

O=C1CCCC/C1=N\Nc1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
MAPT P10636 9/20 0.65
GAA P10253 7/20 0.65
RAB9A P51151 6/20 0.63
L3MBTL1 Q9Y468 2/20 0.45
GFER P55789 2/20 0.45
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
OGG1 O15527 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.36
PLA2G1B P04054 1/20 0.36
HPGD P15428 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL21114859 1.00 ALDH1A1 (0.65) ALDH1A1MAPTGAARAB9AL3MBTL1
SCHEMBL22529442 0.98 MAPT (0.66) ALDH1A1MAPTGAARAB9AL3MBTL1
SCHEMBL22529440 0.98 MAPT (0.66) ALDH1A1MAPTGAARAB9AL3MBTL1
SCHEMBL22529444 0.97 ALDH1A1 (0.60) ALDH1A1MAPTGAARAB9AL3MBTL1
SCHEMBL22529447 0.97 ALDH1A1 (0.60) ALDH1A1MAPTGAARAB9AL3MBTL1
SCHEMBL21114872 0.83 MAPT (0.65) ALDH1A1MAPTGAARAB9AL3MBTL1
SCHEMBL21114874 0.83 MAPT (0.65) ALDH1A1MAPTGAARAB9AL3MBTL1
SCHEMBL4238950 0.83 GAA (0.65) ALDH1A1MAPTGAARAB9AL3MBTL1
SCHEMBL4238951 0.83 GAA (0.65) ALDH1A1MAPTGAARAB9AL3MBTL1
SCHEMBL13693824 0.83 GAA (0.65) ALDH1A1MAPTGAARAB9AL3MBTL1

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
CN-114173780-A Compounds for reducing the deleterious activity of genes containing extended nucleotide repeats 小利兰·斯坦福大学托管委员会 2022-03-11 CN disclosed
US-10882821-B1 Enantiomeric compound for the reduction of the deleterious activity of extended nucleotide repeat containing genes THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-01-05 US disclosed
US-10736911-B2 Use of a DHODH inhibitor in combination with an inhibitor of pyrimidine salvage THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-08-11 US disclosed
US-10736911-B2 Use of a DHODH inhibitor in combination with an inhibitor of pyrimidine salvage THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-08-11 US disclosed
US-20190209598-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-07-11 US disclosed
US-20190209598-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-07-11 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-20190209598-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE DHODH, DPYD, DHPS ALDH1A1 502/4885MAPT 3576/4885GAA 1822/4885
US-10882821-B1 Enantiomeric compound for the reduction of the deleterious activity of extended nucleotide repeat containing genes NSUN2, RRM2B, RNMT ALDH1A1 2751/4885MAPT 3576/4885GAA 1481/4885
US-10736911-B2 Use of a DHODH inhibitor in combination with an inhibitor of pyrimidine salvage DHODH, DPYD, DHPS ALDH1A1 502/4885MAPT 3576/4885GAA 1822/4885

“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.