SCHEMBL968069

SCHEMBL968069

COC(=O)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
KDM4E B2RXH2 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
NR1H4 Q96RI1 1/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
S1PR1 P21453 2/20 0.49
HDAC6 Q9UBN7 3/20 0.49
LMNA P02545 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR5 Q9H228 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
EGFR P00533 1/20 0.48
HDAC3 O15379 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
SCHEMBL967102 1.00 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ENPC1RAB9ANR1H4
SCHEMBL966642 0.95 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ENPC1RAB9ANR1H4
SCHEMBL969800 0.92 KDM4E (0.57) SMN1; SMN2KDM4ENPC1RAB9ANR1H4
SCHEMBL5203117 0.87 ABCG2 (0.58) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL969326 0.87 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ENPC1RAB9ANR1H4
SCHEMBL967418 0.87 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ENPC1RAB9ANR1H4
SCHEMBL968083 0.86 ALDH1A1 (0.54) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL966460 0.85 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL19329094 0.85 MAPT (0.50) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL13008716 0.84 CA1 (0.62) CA1CA2ALDH1A1MAPTHSD17B10

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
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 2957/4885KDM4E 4711/4885NPC1 2287/4885

“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.