SCHEMBL4804520

SCHEMBL4804520

CC(=O)N(C(C)=O)c1cc(I)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
FSCN1 Q16658 1/20 0.40
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 1/20 0.32
APEX1 P27695 1/20 0.32
UCHL1 P09936 1/20 0.31
UCHL3 P15374 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.30
MAP2K1 Q02750 1/20 0.30

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
SCHEMBL9814181 0.79 HSD17B10 (0.45) GAAFSCN1ALDH1A1APEX1
SCHEMBL11506289 0.78 FSCN1 (0.48) GAAFSCN1ALDH1A1APEX1TSHR
SCHEMBL16900683 0.74 IDO1 (0.33) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL21921083 0.71 ALDH1A1 (0.41) ALDH1A1UCHL1UCHL3
SCHEMBL31305311 0.69 FSCN1 (0.70) GAAFSCN1ALDH1A1TSHR
SCHEMBL7127279 0.67 MAP2K1 (0.41) ALDH1A1TSHRMAP2K1
SCHEMBL4801242 0.67 ALDH1A1 (0.58) ALDH1A1HTT
SCHEMBL22619017 0.67 KDM4E (0.43) GAAALDH1A1TSHRHTT
SCHEMBL11504859 0.66 FSCN1 (0.46) GAAFSCN1SLC6A2SLC6A4SLC6A3
SCHEMBL305505 0.64 ALDH1A1 (0.63) ALDH1A1TSHRMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 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-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR GAA 1116/4885FSCN1 4525/4885SLC6A2 2309/4885

“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.