SCHEMBL1029573

SCHEMBL1029573

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cn2)ccc1NC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.57
HSPB1 P04792 1/20 0.49
GAA P10253 3/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 6/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CYP19A1 P11511 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PABPC1 P11940 1/20 0.42

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
SCHEMBL1027324 0.85 MEN1 (0.51) GAAMAPTNPSR1KMT2ARAB9A
SCHEMBL1026321 0.84 HSPB1 (0.53) PPARGHSPB1GAAMAPTNPSR1
SCHEMBL7036261 0.84 PPARG (0.82) PPARGCYP1A2MAPTKMT2ARAB9A
SCHEMBL1027925 0.82 PPARG (0.50) PPARGHSPB1GAAMAPTNPSR1
SCHEMBL5629195 0.80 SMN1; SMN2 (0.60) GAAMAPTNPSR1KMT2ACYP19A1
SCHEMBL1028230 0.78 TDP1 (0.58) GAAMAPTNPSR1KMT2ARAB9A
SCHEMBL1589998 0.78 HSPB1 (0.63) HSPB1GAAMAPTNPSR1KMT2A
SCHEMBL23797981 0.78 HSPB1 (0.55) PPARGHSPB1GAACYP1A2MAPT
SCHEMBL3635549 0.77 MAPT (0.61) HSPB1GAAMAPTNPSR1KMT2A
SCHEMBL6175971 0.75 HSPB1 (0.55) PPARGHSPB1GAACYP1A2MAPT

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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R PPARG 541/4885HSPB1 3294/4885GAA 1004/4885

“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.