SCHEMBL1011506

SCHEMBL1011506

COc1ccc(Cc2cc(I)ccc2Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.47
LTA4H P09960 1/20 0.44
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC5A2 P31639 2/20 0.39
IDO1 P14902 1/20 0.39
HTR2A P28223 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC5A1 P13866 1/20 0.38
MPO P05164 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL3771475 0.82 APP (0.49) APPLTA4HSLC5A2IDO1L3MBTL1
SCHEMBL2240779 0.81 SNCA (0.36) SLC5A2HTR2AHTTSLC5A1
SCHEMBL30424014 0.81 APP (0.47) APPLTA4HIDO1MPO
SCHEMBL15303335 0.81 SLC5A2 (0.50) APPLTA4HSLC5A2SLC5A1
SCHEMBL30424499 0.81 SLC5A2 (0.50) APPLTA4HSLC5A2SLC5A1
SCHEMBL20540008 0.77 LTA4H (0.56) LTA4HHTR1ASLC6A4CYP11B1CYP11B2
SCHEMBL4314726 0.77 APP (0.68) APPLTA4HIDO1
SCHEMBL3902050 0.76 LTA4H (0.60) LTA4HSLC5A2IDO1MEN1HTT
SCHEMBL30837375 0.76 LTA4H (0.60) LTA4HSLC5A2IDO1MEN1HTT
SCHEMBL12428735 0.73 HTR1A (0.44) HTR1ASLC6A4IDO1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101998962-A Novel aromatic fluoroglycoside derivatives, medicaments containing said compounds and the use thereof SANOFI AVENTIS 2011-03-30 CN disclosed
US-20110059910-A1 Novel aromatic fluoroglycoside derivatives, pharmaceuticals comprising said compounds and the use thereof SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
EP-2268653-A2 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICALS COMPRISING SAID COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2011-01-05 EP disclosed
WO-2009100936-A2 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICALS COMPRISING SAID COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2009-08-20 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-20110059910-A1 Novel aromatic fluoroglycoside derivatives, pharmaceuticals comprising said compounds and the use thereof SLC5A2, SLC5A1, SLC2A2 APP 2455/4885LTA4H 3007/4885HTR1A 3004/4885

“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.