SCHEMBL2718884

SCHEMBL2718884

COc1cccc(-c2nnc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ HPGD P15428 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ TP53 P04637 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ CASP3 P42574 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ F2 P00734 1/20 0.47
▸ NOTUM Q6P988 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL2729578 0.94 KDM4E (0.54) KDM4EKMT2ANPC1RAB9AHPGD
SCHEMBL15426702 0.92 NPC1 (0.50) KDM4EKMT2ANPC1RAB9AHPGD
SCHEMBL15074716 0.92 KDM4E (0.52) KDM4EKMT2ANPC1RAB9AHPGD
SCHEMBL2729335 0.90 NPC1 (0.57) KDM4EKMT2ANPC1RAB9AHPGD
SCHEMBL2729098 0.90 KDM4E (0.50) KDM4EKMT2ANPC1RAB9AHPGD
SCHEMBL12974154 0.88 KDM4E (0.45) KDM4EKMT2ANPC1RAB9AHPGD
SCHEMBL10299040 0.87 SMN1; SMN2 (0.50) KDM4EKMT2ANPC1RAB9AHPGD
SCHEMBL10299380 0.87 PIM1 (0.45) KDM4EKMT2ANPC1RAB9AHPGD
SCHEMBL15435102 0.86 HPGD (0.41) KDM4EKMT2ANPC1RAB9AHPGD
SCHEMBL10299365 0.86 PTK2 (0.42) KDM4EKMT2ANPC1RAB9AHPGD

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-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-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-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
WO-2012088316-A1 2-ALKYL-5-PHENYL OXADIAZOLE-CARBAZOLE HOSTS FOR GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-06-28 — — WO disclosed
EP-2445905-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS Georgia Tech Research Corporation (US) 2012-05-02 — — EP disclosed
WO-2010149620-A1 POLYMERIZABLE AMBIPOLAR HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 — — WO disclosed
WO-2010149622-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 — — WO 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-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

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

For each of this compound's patents that has machine-readable text (2 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 4762/4885KMT2A 4517/4885NPC1 643/4885
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS OCIAD2, OCIAD1, ORC3 KDM4E 4027/4885KMT2A 3651/4885NPC1 816/4885

“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.

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