SCHEMBL3021052

SCHEMBL3021052

Cc1cc(N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)ccc1Oc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.51
EPAS1 Q99814 8/20 0.51
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
NPC1 O15118 1/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
FAAH O00519 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL27975778 0.93 RAB9A (0.43) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL5182005 0.89 SMN1; SMN2 (0.44) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3027602 0.89 SMN1; SMN2 (0.44) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3024375 0.87 HIF1A (0.53) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3031517 0.83 SMN1; SMN2 (0.45) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3026304 0.83 HIF1A (0.48) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3027056 0.82 SMN1; SMN2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3023069 0.81 SMN1; SMN2 (0.42) RAB9AGAANPC1ALDH1A1LMNA
SCHEMBL3128730 0.81 ABCB1 (0.44) RAB9AGAANPC1L3MBTL1ALDH1A1
SCHEMBL3142247 0.79 ALDH1A1 (0.49) L3MBTL1ALDH1A1LMNAFAAHKDM4E

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-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
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP claimed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO claimed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US claimed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP claimed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO 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-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
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
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

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 HIF1A 1469/4885EPAS1 4269/4885PRKAB2 4836/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 HIF1A 1431/4885EPAS1 3927/4885PRKAB2 2248/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 HIF1A 1427/4885EPAS1 3789/4885PRKAB2 2045/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HIF1A 1877/4885EPAS1 4634/4885PRKAB2 4675/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HIF1A 411/4885EPAS1 3849/4885PRKAB2 4827/4885

“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.