SCHEMBL4628667

SCHEMBL4628667

NC(=NC(=O)c1ccco1)N1CCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
TDP1 Q9NUW8 2/20 0.66
SCN2A Q99250 1/20 0.61
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 5/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
CHRNA7 P36544 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
NOTUM Q6P988 1/20 0.47

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
SCHEMBL4628693 0.93 ALDH1A1 (0.58) NPC1RAB9ATDP1SCN2AALDH1A1
SCHEMBL4628733 0.79 SCN2A (0.77) NPC1RAB9ASCN2AALDH1A1KMT2A
SCHEMBL4629460 0.77 ALDH1A1 (0.64) NPC1RAB9ATDP1SCN2AALDH1A1
SCHEMBL4629262 0.76 SCN2A (1.00) NPC1RAB9ATDP1SCN2AALDH1A1
SCHEMBL4658155 0.76 SCN2A (0.62) NPC1RAB9ATDP1SCN2AALDH1A1
SCHEMBL4659179 0.76 SCN2A (0.62) NPC1RAB9ATDP1SCN2AALDH1A1
SCHEMBL4628459 0.75 TSHR (0.66) NPC1RAB9ATDP1SCN2AALDH1A1
SCHEMBL4629264 0.75 SCN2A (0.58) NPC1RAB9ATDP1SCN2AALDH1A1
SCHEMBL4628750 0.73 SCN2A (0.69) NPC1RAB9ATDP1SCN2AALDH1A1
SCHEMBL4628545 0.73 STAT3 (0.67) RAB9ATDP1SCN2AALDH1A1MAPT

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
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA NPC1 140/4885RAB9A 617/4885TDP1 756/4885

“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.