SCHEMBL3147350

SCHEMBL3147350

Cc1cc(C=O)ccc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.55
MAPT P10636 13/20 0.53
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 10/20 0.51
LMNA P02545 8/20 0.51
HTT P42858 4/20 0.51
BLM P54132 1/20 0.51
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PABPC1 P11940 1/20 0.46
POLB P06746 1/20 0.46
TTR P02766 1/20 0.45
RGS12 O14924 2/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL8917573 0.88 HSPB1 (0.53) HSPB1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13581790 0.85 MAPT (0.51) HSPB1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13581793 0.85 MAPT (0.51) HSPB1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13581792 0.85 MAPT (0.51) HSPB1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2232288 0.85 MAPT (0.52) HSPB1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL4715958 0.82 HSPB1 (0.57) HSPB1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL4715960 0.82 HSPB1 (0.57) HSPB1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL4061482 0.82 HSPB1 (0.57) HSPB1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL12018653 0.81 KDM4E (0.56) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL3138641 0.80 MAPT (0.81) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA

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 9 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

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 4315/4885ALDH1A1 565/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HSPB1 2071/4885MAPT 4866/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HSPB1 1573/4885MAPT 4163/4885ALDH1A1 475/4885

“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.