SCHEMBL5517460

SCHEMBL5517460

BrCc1nc(Br)c(-c2ccc(-c3ccccc3)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX5 P09917 3/20 0.35
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.34
PTPN1 P18031 1/20 0.33
GSK3B P49841 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CD74 P04233 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
SCHEMBL14435910 0.83 SMN1; SMN2 (0.41) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL5524819 0.78 PTGS2 (0.35) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL5522687 0.75 ALOX5 (0.58) HRH3ALDH1A1MAPK1CYP1A2CYP2D6
SCHEMBL14832605 0.72 ALOX5 (0.50) HRH3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11699578 0.71 ALDH1A1 (0.63) HRH3ALDH1A1MAPK1CYP1A2CYP2D6
SCHEMBL12596896 0.70 PIK3CA (0.59)
SCHEMBL203384 0.70 PIK3CA (0.44) MAPK1KDM4ENPC1RAB9A
SCHEMBL14435912 0.68 KDM4E (0.40) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL2539191 0.63 HDAC6 (0.48) ALDH1A1KDM4EGAATRPA1TSHR
Biphenyl SCHEMBL7524026 0.63 TSHR (0.82) ALDH1A1MAPK1GAATRPA1TSHR

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
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD HRH3 4198/4885ALDH1A1 1651/4885MAPK1 1669/4885

“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.