SCHEMBL969070

SCHEMBL969070

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.72
POLB P06746 1/20 0.66
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
RAB9A P51151 2/20 0.60
HDAC1 Q13547 2/20 0.58
CA12 O43570 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 5/20 0.54
HPGD P15428 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL592406 0.92 CA1 (0.68) MAPTPOLBCA1CA2RAB9A
Water SCHEMBL28249729 0.90 CA1 (0.66) MAPTPOLBCA1CA2RAB9A
SCHEMBL11515705 0.88 CA1 (0.71) MAPTPOLBCA1CA2RAB9A
SCHEMBL14438185 0.88 POLB (0.81) MAPTPOLBRAB9AHDAC1MEN1
SCHEMBL970920 0.87 MEN1 (0.67) MAPTPOLBCA1CA2RAB9A
SCHEMBL13008716 0.87 CA1 (0.62) MAPTCA1CA2HDAC1CA12
SCHEMBL10568881 0.85 MAPT (0.72) MAPTPOLBRAB9AHDAC1MEN1
SCHEMBL3882727 0.84 HDAC3 (0.71) MAPTCA1CA2RAB9AMEN1
SCHEMBL4611487 0.84 HDAC3 (0.71) MAPTCA1CA2RAB9AMEN1
SCHEMBL966642 0.84 SMN1; SMN2 (0.55) MAPTPOLBCA1CA2RAB9A

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 5 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
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 MAPT 834/4885POLB 321/4885CA1 4204/4885

“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.