SCHEMBL966460

SCHEMBL966460

COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 6/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HIF1A Q16665 2/20 0.44
GSK3B P49841 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL968083 0.93 ALDH1A1 (0.54) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL966642 0.91 SMN1; SMN2 (0.55) SMN1; SMN2TP53MAPTKDM4EALDH1A1
SCHEMBL967480 0.89 KDM4E (0.64) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL967418 0.88 SMN1; SMN2 (0.56) SMN1; SMN2TP53MAPTKDM4EALDH1A1
SCHEMBL969326 0.88 SMN1; SMN2 (0.56) SMN1; SMN2TP53MAPTKDM4EALDH1A1
SCHEMBL970920 0.87 MEN1 (0.67) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL13780839 0.86 HDAC6 (0.45) SMN1; SMN2MAPTKDM4EALDH1A1HDAC6
SCHEMBL969800 0.86 KDM4E (0.57) SMN1; SMN2TP53KMT2AMAPTKDM4E
SCHEMBL967102 0.85 SMN1; SMN2 (0.59) SMN1; SMN2TP53MAPTKDM4EALDH1A1
SCHEMBL968069 0.85 SMN1; SMN2 (0.59) SMN1; SMN2TP53MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 (1 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-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 SMN1; SMN2 2957/4885TP53 4608/4885MEN1 2411/4885

“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.