SCHEMBL968083

SCHEMBL968083

COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
KDM4E B2RXH2 4/20 0.54
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 8/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC6 Q9UBN7 3/20 0.46
LMNA P02545 1/20 0.46
HDAC3 O15379 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
SCHEMBL966460 0.93 SMN1; SMN2 (0.55) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL969800 0.91 KDM4E (0.57) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL969326 0.91 SMN1; SMN2 (0.56) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL967418 0.91 SMN1; SMN2 (0.56) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL966642 0.91 SMN1; SMN2 (0.55) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL1008450 0.89 KDM4E (0.64) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL12947946 0.87 NPC1 (0.50) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL12920440 0.87 MAPT (0.56) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL967480 0.87 KDM4E (0.64) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL3724358 0.86 MAPT (0.54) ALDH1A1MAPTKDM4ETP53SMN1; SMN2

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 6 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
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 ALDH1A1 1377/4885MAPT 834/4885KDM4E 4711/4885

“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.