SCHEMBL3024482

SCHEMBL3024482

[CH2]CCCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.60
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
KCNH2 Q12809 3/20 0.55
MAPT P10636 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LSS P48449 1/20 0.50

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
SCHEMBL8778568 1.00 HRH3 (0.60) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL367677 0.98 HRH3 (0.57) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL9654053 0.93 HRH3 (0.54) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL7475821 0.93 DRD2 (0.58) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL7788133 0.91 HRH3 (0.52) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL5390369 0.91 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10559291 0.91 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10554981 0.91 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10558691 0.91 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL10556391 0.91 HRH3 (0.69) HRH3DRD2DRD4DRD3KCNH2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 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-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
CN-101522657-A STAT3/5 activation inhibitor OTSUKA PHARMA CO LTD (JP) 2009-09-02 CN disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
CN-101321529-A Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD (JP) 2008-12-10 CN disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
CN-1993339-A Aromatic compound OTSUKA PHARMA CO LTD (JP) 2007-07-04 CN 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 (4 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 HRH3 39/4885DRD2 189/4885DRD4 105/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 HRH3 1833/4885DRD2 3573/4885DRD4 3207/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 HRH3 1707/4885DRD2 3690/4885DRD4 3196/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HRH3 74/4885DRD2 1486/4885DRD4 1029/4885

“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.