SCHEMBL4628459

SCHEMBL4628459

NC(=NC(=O)c1cccs1)N1CCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.66
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
TP53 P04637 3/20 0.66
SCN2A Q99250 1/20 0.61
ALDH1A1 P00352 3/20 0.53
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 2/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
POLB P06746 1/20 0.47
NOTUM Q6P988 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 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
SCHEMBL4629002 0.93 TSHR (0.67) TSHRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4659179 0.76 SCN2A (0.62) TSHRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4629262 0.76 SCN2A (1.00) TSHRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4658155 0.76 SCN2A (0.62) TSHRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4628733 0.76 SCN2A (0.77) TSHRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4628667 0.75 NPC1 (0.66) TSHRNPC1RAB9ASMN1; SMN2SCN2A
SCHEMBL4656775 0.73 SCN2A (0.59) TSHRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4628545 0.73 STAT3 (0.67) TSHRRAB9ASMN1; SMN2SCN2AALDH1A1
SCHEMBL4628750 0.73 SCN2A (0.69) TSHRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4629264 0.72 SCN2A (0.58) TSHRNPC1RAB9ASMN1; SMN2TP53

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 TSHR 3970/4885NPC1 140/4885RAB9A 617/4885

“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.