SCHEMBL6766499

SCHEMBL6766499

N#Cc1ccc(CNCCCNC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
EPHX2 P34913 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44

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
SCHEMBL6759971 0.97 SCN8A (0.52) SCN8ACA12CA1CA2CA4
SCHEMBL1695664 0.82 LOXL2 (0.57) CA12CA1CA2LOXL2SAE1
SCHEMBL19133506 0.82 HPGD (0.51) ALDH1A1MGLLCTBP2
SCHEMBL13683815 0.80 CA1 (0.48) SCN8ACA12CA1CA2CA4
SCHEMBL5303258 0.80 CHRM2 (0.61) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL5300649 0.80 CHRM2 (0.61) SCN8AALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL2001284 0.79 CNR1 (0.58) CA12CA1CA2CA4CA9
SCHEMBL9885619 0.79 SCN8A (0.55) SCN8ACA12CA1CA2CA4
SCHEMBL19133518 0.78 MGLL (0.44) CA12CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL7644972 0.78 SIGMAR1 (0.59) EPHX2HDAC3HDAC1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use LABORATORIES FOURNIER S.A. (FR) 2004-04-01 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 (1 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-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use GLS, GLS2, GLRB SCN8A 2257/4885CA12 3089/4885CA1 2892/4885

“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.