SCHEMBL1008450

SCHEMBL1008450

COc1cccc(C(=O)NNC(=O)c2cccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
MAPT P10636 5/20 0.64
ALDH1A1 P00352 4/20 0.64
TSHR P16473 2/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
HPGD P15428 4/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 3/20 0.57
ADCY1 Q08828 3/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
THRB P10828 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL967480 0.96 KDM4E (0.64) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL1065563 0.89 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL968083 0.89 ALDH1A1 (0.54) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL12920440 0.87 MAPT (0.56) KDM4EMAPTALDH1A1TSHRHSD17B10
SCHEMBL3724358 0.86 MAPT (0.54) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL3666883 0.86 TP53 (0.52) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL12974156 0.85 TSHR (0.62) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL1012437 0.85 NPC1 (0.78) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL966460 0.84 SMN1; SMN2 (0.55) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL12920429 0.84 TP53 (0.57) KDM4EMAPTALDH1A1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569311-B1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RES INST (US) 2016-01-13 EP disclosed
EP-2569311-B1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RES INST (US) 2016-01-13 EP disclosed
US-9133177-B2 Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-15 US disclosed
US-9133177-B2 Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-15 US disclosed
US-9133177-B2 Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-15 US disclosed
EP-2569311-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS Georgia Tech Research Corporation (US) 2013-03-20 EP disclosed
US-20120172556-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION 2012-07-05 US disclosed
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-07-05 US disclosed
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-07-05 US disclosed
US-20120172556-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION 2012-07-05 US disclosed
US-20120172556-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION 2012-07-05 US disclosed
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-07-05 US disclosed
EP-2445905-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS Georgia Tech Research Corporation (US) 2012-05-02 EP disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
WO-2010149622-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 WO disclosed
WO-2010149618-A1 POLYMERIC AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 WO disclosed
WO-2010149620-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 WO disclosed
WO-2009080797-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 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-20120172556-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS OCIAD1, OCIAD2, OXA1L KDM4E 4762/4885MAPT 940/4885ALDH1A1 1850/4885
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS OCIAD2, OCIAD1, ORC3 KDM4E 4027/4885MAPT 2091/4885ALDH1A1 3486/4885
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 KDM4E 4711/4885MAPT 834/4885ALDH1A1 1377/4885

“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.