SCHEMBL3024375

SCHEMBL3024375

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.53
EPAS1 Q99814 8/20 0.53
PRKAB2 O43741 2/20 0.46
PRKAG1 P54619 2/20 0.46
PRKAA2 P54646 2/20 0.46
PRKAA1 Q13131 2/20 0.46
PRKAG3 Q9UGI9 2/20 0.46
PRKAG2 Q9UGJ0 2/20 0.46
PRKAB1 Q9Y478 2/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
NPC1 O15118 1/20 0.44
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL3027608 0.89 MEN1 (0.45) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3021052 0.87 HIF1A (0.51) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3026304 0.84 HIF1A (0.48) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3031521 0.81 FAAH (0.46) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3027060 0.81 ALDH1A1 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3023072 0.81 FAAH (0.43) RAB9AGAANPC1FAAHALDH1A1
SCHEMBL3128743 0.80 MEN1 (0.43) RAB9AGAANPC1FAAHALDH1A1
SCHEMBL27975778 0.80 RAB9A (0.43) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3030079 0.79 PRKAA2 (0.63) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL3061812 0.79 HIF1A (0.53) HIF1AEPAS1PRKAB2PRKAG1PRKAA2

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 19 patents. 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
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
CN-101321529-B Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD 2012-09-05 CN 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-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.