SCHEMBL3033606

SCHEMBL3033606

O=C(Nc1ccc(Oc2ccc(N3CCC(CC(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)CC3)cc2)nc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
ABCB1 P08183 1/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 6/20 0.43
USP2 O75604 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
PRKAA2 P54646 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
FAAH O00519 1/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
HIF1A Q16665 4/20 0.42
EPAS1 Q99814 3/20 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
SCHEMBL3031904 0.91 MAPT (0.47) CYP3A4ABCB1MAPTKDM4ELMNA
SCHEMBL3026272 0.91 ABCB1 (0.43) CYP3A4ABCB1MAPTKDM4ELMNA
SCHEMBL3027481 0.90 ABCB1 (0.48) CYP3A4ABCB1MAPTKDM4ELMNA
SCHEMBL3016770 0.88 HIF1A (0.52) CYP3A4MAPTNPC1PRKAA2SMN1; SMN2
SCHEMBL3026817 0.88 CTNNB1 (0.47) CYP3A4ABCB1MAPTKDM4ELMNA
SCHEMBL3032985 0.87 FAAH (0.47) CYP3A4MAPTKDM4ELMNAUSP2
SCHEMBL3026815 0.86 ABCB1 (0.44) CYP3A4ABCB1MAPTKDM4ELMNA
SCHEMBL3137358 0.84 SCN9A (0.39) MAPTKDM4ENPC1SMN1; SMN2FAAH
SCHEMBL8925146 0.84 FAAH (0.47) LMNAUSP2NPC1TP53MAPK1
SCHEMBL3032242 0.84 KDM4E (0.48) CYP3A4MAPTKDM4ELMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP claimed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP claimed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US claimed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US claimed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US claimed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US claimed
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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
CN-101522657-A STAT3/5 activation inhibitor OTSUKA PHARMA CO LTD (JP) 2009-09-02 CN 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 CYP3A4 144/4885ABCB1 1545/4885MAPT 4315/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 CYP3A4 2795/4885ABCB1 3099/4885MAPT 4294/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 CYP3A4 2585/4885ABCB1 3343/4885MAPT 4610/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CYP3A4 910/4885ABCB1 528/4885MAPT 4866/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CYP3A4 236/4885ABCB1 1414/4885MAPT 4163/4885

“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.