SCHEMBL3133445

SCHEMBL3133445

CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.66
MAPT P10636 6/20 0.60
NPSR1 Q6W5P4 1/20 0.60
GAA P10253 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 3/20 0.57
MAOB P27338 2/20 0.56
RAB9A P51151 3/20 0.55
LMNA P02545 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAOA P21397 1/20 0.48
NPC1 O15118 1/20 0.47
SRD5A2 P31213 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL1589998 0.86 HSPB1 (0.63) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL6179474 0.85 HSPB1 (0.61) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL20932230 0.85 HSPB1 (0.82) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL5169535 0.85 HSPB1 (0.57) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL5169540 0.85 HSPB1 (0.57) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL5169525 0.85 HSPB1 (0.57) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL6176727 0.84 ALDH1A1 (0.60) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL6182486 0.84 HSPB1 (0.63) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL6175971 0.83 HSPB1 (0.55) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL3128853 0.83 RAB9A (0.56) HSPB1MAPTNPSR1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
EP-1066261-B1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 2005-11-23 EP disclosed
US-6511995-B1 Inhibits collagen synthesis, which is useful for prophylaxis or treatment of fibrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-01-28 US 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 HSPB1 3924/4885MAPT 4315/4885NPSR1 885/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HSPB1 2071/4885MAPT 4866/4885NPSR1 1788/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HSPB1 1573/4885MAPT 4163/4885NPSR1 1136/4885

“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.