SCHEMBL3029430

SCHEMBL3029430

[CH2]CCCc1nnnn1CCCCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A3 Q01959 5/20 0.45
DAGLA Q9Y4D2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3030013 0.97 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL3022775 0.97 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL3034926 0.94 DAGLA (0.45) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL3032215 0.93 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL3021142 0.87 DAGLA (0.49) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL97020 0.83 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL96779 0.83 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL97021 0.83 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL96780 0.83 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL3036626 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 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-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP 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
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-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SLC6A2 4154/4885SLC6A4 3724/4885SLC6A3 3462/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SLC6A2 4353/4885SLC6A4 3914/4885SLC6A3 3589/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SLC6A2 4260/4885SLC6A4 3735/4885SLC6A3 3196/4885

“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.