SCHEMBL4590208

SCHEMBL4590208

BrCCCCC(OC(CCCCBr)c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
SLC7A5 Q01650 10/20 0.39
HRH1 P35367 4/20 0.36
HTR2A P28223 3/20 0.36
SLC6A4 P31645 2/20 0.36
GSR P00390 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL27654798 0.98 SLC7A5 (0.40) SIGMAR1SLC7A5HRH1HTR2ASLC6A4
SCHEMBL6153356 0.94 HRH1 (0.38) SIGMAR1SLC7A5HRH1HTR2ASLC6A4
SCHEMBL3053696 0.85 SLC6A4 (0.39) HRH1HTR2ASLC6A4GSRTP53
SCHEMBL10531699 0.81 LMNA (0.46) CYP1A2
SCHEMBL1459570 0.80 SLC7A5 (0.44) SIGMAR1SLC7A5HTR2ASLC6A4
SCHEMBL27893880 0.79 CHRNA7 (0.35) SLC7A5SLC6A4
SCHEMBL8120558 0.79 SIGMAR1 (0.59) SIGMAR1HRH1HTR2A
SCHEMBL7448877 0.78 HTR2A (0.44) SIGMAR1SLC7A5HTR2A
SCHEMBL8048483 0.78 HTR2A (0.44) SIGMAR1SLC7A5HTR2A
SCHEMBL9168419 0.78 HTR2A (0.44) SIGMAR1SLC7A5HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
EP-1948187-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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 (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-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA SIGMAR1 2248/4885SLC7A5 4301/4885HRH1 229/4885

“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.