SCHEMBL5169525

SCHEMBL5169525

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.57
MAPT P10636 10/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 1/20 0.52
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SRD5A2 P31213 1/20 0.44
RGS12 O14924 2/20 0.43
PABPC1 P11940 1/20 0.43
APOBEC3A P31941 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
SCHEMBL5169535 1.00 HSPB1 (0.57) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL5169540 1.00 HSPB1 (0.57) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL3128846 0.85 HSPB1 (0.52) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL3128834 0.85 HSPB1 (0.52) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL3133445 0.85 HSPB1 (0.66) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL3128839 0.83 HSPB1 (0.52) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL1589998 0.80 HSPB1 (0.63) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL6182486 0.80 HSPB1 (0.63) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL3128853 0.79 RAB9A (0.56) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL6179474 0.79 HSPB1 (0.61) HSPB1MAPTNPSR1RAB9AGAA

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-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 HSPB1 3924/4885MAPT 4315/4885NPSR1 885/4885

“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.