SCHEMBL3722591

SCHEMBL3722591

CC(C)(C)c1ccc(-c2nnc(-c3cccc(C(=O)NN)c3)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 6/20 0.59
MAPT P10636 4/20 0.59
TP53 P04637 2/20 0.56
TSHR P16473 4/20 0.55
HPGD P15428 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.50
RECQL P46063 1/20 0.50
NR1H4 Q96RI1 1/20 0.48
GAA P10253 1/20 0.48
S1PR1 P21453 1/20 0.48
HDAC6 Q9UBN7 3/20 0.48
NPSR1 Q6W5P4 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL12920429 0.89 TP53 (0.57) KDM4EALDH1A1MAPTTP53TSHR
SCHEMBL12920452 0.88 KDM4E (0.65) KDM4EALDH1A1MAPTTP53NPC1
SCHEMBL12920440 0.85 MAPT (0.56) KDM4EALDH1A1MAPTTP53TSHR
SCHEMBL968281 0.85 MYC (0.58) KDM4EALDH1A1MAPTTP53TSHR
SCHEMBL1505169 0.85 MYC (0.58) KDM4EALDH1A1MAPTTP53TSHR
SCHEMBL969326 0.84 SMN1; SMN2 (0.56) KDM4EALDH1A1MAPTTP53TSHR
SCHEMBL967418 0.84 SMN1; SMN2 (0.56) KDM4EALDH1A1MAPTTP53TSHR
SCHEMBL3666883 0.84 TP53 (0.52) KDM4EALDH1A1MAPTTP53TSHR
SCHEMBL10299345 0.83 NPC1 (0.55) KDM4EALDH1A1MAPTTP53TSHR
SCHEMBL1008450 0.83 KDM4E (0.64) KDM4EALDH1A1MAPTTP53TSHR

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 10 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
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
CN-102596945-A Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RES INS 2012-07-18 CN 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
CN-101952263-A Romp-polymerizable electron transport materials based on a bis-oxadiazole moiety GEORGIA TECH RES INST 2011-01-19 CN 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
EP-2234991-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY Georgia Tech Research Corporation (US) 2010-10-06 EP 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 4762/4885ALDH1A1 1850/4885MAPT 940/4885
US-20120168732-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS OCIAD2, OCIAD1, ORC3 KDM4E 4027/4885ALDH1A1 3486/4885MAPT 2091/4885
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 KDM4E 4711/4885ALDH1A1 1377/4885MAPT 834/4885

“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.