SCHEMBL5522720

SCHEMBL5522720

Cc1nc(-c2ccc(O)cc2)c(Br)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PTGS2 P35354 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CDK4 P11802 1/20 0.38
NTRK1 P04629 1/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
APP P05067 1/20 0.38
ALOX5 P09917 1/20 0.37
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
GAA P10253 1/20 0.36
PLTP P55058 1/20 0.36
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36

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
SCHEMBL17188772 0.85 PTGS2 (0.53) ALDH1A1HPGDPTGS2KMT2AMEN1
SCHEMBL29764150 0.81 PTGS2 (0.51) ALDH1A1HPGDPTGS2CDK4APP
SCHEMBL17592709 0.81 NTRK1 (0.51) ALDH1A1HPGDPTGS2KMT2AMEN1
SCHEMBL12491028 0.79 ALDH1A1 (0.39) ALDH1A1HPGDPTGS2KMT2AMEN1
SCHEMBL201690 0.79 ALDH1A1 (0.68) ALDH1A1HPGDPTGS2KMT2AMEN1
SCHEMBL28056377 0.78 PTGDR2 (0.45) ALDH1A1HPGDPTGS2KMT2AMEN1
SCHEMBL3826066 0.75 ALDH1A1 (0.39) ALDH1A1HPGDPTGS2KMT2AMEN1
SCHEMBL12490338 0.75 PTGS2 (0.38) ALDH1A1HPGDPTGS2KMT2AMEN1
SCHEMBL4311452 0.75 SMN1; SMN2 (0.48) ALDH1A1PTGS2KMT2AMEN1APP
SCHEMBL31469332 0.70 CYP2A6 (0.49) ALDH1A1MAP2K4TP53NPSR1

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 6 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
CN-1980906-A Compounds and compositions as PPAR modulators IRM LLC (BM) 2007-06-13 CN 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 ALDH1A1 1651/4885HPGD 604/4885PTGS2 682/4885

“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.