SCHEMBL17801512

SCHEMBL17801512

[N-]=[N+]=C(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.50
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
HAO1 Q9UJM8 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PTPN1 P18031 1/20 0.46
GSK3B P49841 1/20 0.46
LMNA P02545 2/20 0.44
CDC25B P30305 1/20 0.44
ATM Q13315 1/20 0.44
FFAR1 O14842 1/20 0.44
CYP1A2 P05177 1/20 0.44
HIF1A Q16665 1/20 0.44
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
HPGD P15428 3/20 0.43

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
SCHEMBL993397 0.87 CES1 (0.46) SMN1; SMN2MAPTERCC5FEN1L3MBTL1
SCHEMBL13735831 0.80 SMN1; SMN2 (0.47) SMN1; SMN2MAPTERCC5FEN1HAO1
SCHEMBL3140047 0.78 CES2 (0.48) MAPTHAO1RAB9AGSK3BLMNA
SCHEMBL28252458 0.78 CES2 (0.48) RAB9ANPC1PTPN1MEN1KMT2A
SCHEMBL5046739 0.76 CES2 (0.55) SMN1; SMN2MAPTRAB9ANPC1PTPN1
SCHEMBL2162369 0.73 CES2 (0.53) RAB9ANPC1PTPN1GSK3BHPGD
SCHEMBL7789534 0.72 CES2 (0.56) SMN1; SMN2MAPTRAB9AL3MBTL1LMNA
SCHEMBL8746802 0.72 TDP1 (0.58) MAPTL3MBTL1GSK3BLMNAMEN1
SCHEMBL6512827 0.72 SMN1; SMN2 (0.60) SMN1; SMN2MAPTERCC5FEN1HAO1
SCHEMBL7746452 0.72 SMN1; SMN2 (0.60) SMN1; SMN2MAPTERCC5FEN1HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414728-B2 Use of tetrahydropyridines in the treatment of sodium channel related disease and disorders CENNERV PHARMA (S) PTE LTD (SG) 2019-09-17 US disclosed
US-20180141907-A1 USE OF TETRAHYDROPYRIDINES IN THE TREATMENT OF SODIUM CHANNEL RELATED DISEASE AND DISORDERS CHAKRA BIOTECH PTE LTD (SG) 2018-05-24 US disclosed
US-20170355676-A1 USE OF TETRAHYDROPYRIDINES IN THE TREATMENT OF SODIUM CHANNEL RELATED DISEASE AND DISORDERS CHAKRA BIOTECH PTE LTD (SG) 2017-12-14 US disclosed
EP-3226865-A1 USE OF TETRAHYDROPYRIDINES IN THE TREATMENT OF SODIUM CHANNEL RELATED DISEASE AND DISORDERS Cennerv Pharma (S) Pte. Ltd. (SG) 2017-10-11 EP disclosed
WO-2016089304-A1 USE OF TETRAHYDROPYRIDINES IN THE TREATMENT OF SODIUM CHANNEL RELATED DISEASE AND DISORDERS CENNERV PHARMA (S) PTE. LTD. (SG) 2016-06-09 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 (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-10414728-B2 Use of tetrahydropyridines in the treatment of sodium channel related disease and disorders KCND2, KCNJ2, KCNH3 SMN1; SMN2 605/4885MAPT 1688/4885ERCC5 4827/4885
US-20170355676-A1 USE OF TETRAHYDROPYRIDINES IN THE TREATMENT OF SODIUM CHANNEL RELATED DISEASE AND DISORDERS KCND2, KCNJ2, KCNH3 SMN1; SMN2 612/4885MAPT 1631/4885ERCC5 4823/4885
US-20180141907-A1 USE OF TETRAHYDROPYRIDINES IN THE TREATMENT OF SODIUM CHANNEL RELATED DISEASE AND DISORDERS KCND2, KCNJ2, KCNH3 SMN1; SMN2 612/4885MAPT 1631/4885ERCC5 4823/4885

“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.