SCHEMBL970920

SCHEMBL970920

COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MAPT P10636 1/20 0.60
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.55
KCNK9 Q9NPC2 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
KCNK3 O14649 1/20 0.51
HIF1A Q16665 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
KIF11 P52732 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HDAC1 Q13547 1/20 0.49
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL969070 0.87 MAPT (0.72) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL966460 0.87 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL13949650 0.81 RAB9A (0.53) MEN1KMT2ASMN1; SMN2TP53POLB
SCHEMBL18038356 0.81 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL6165738 0.81 RAB9A (0.47) MEN1KMT2ASMN1; SMN2TP53RAB9A
SCHEMBL1787501 0.80 ACHE (0.59) POLBRAB9ANPC1HIF1AALDH1A1
SCHEMBL592406 0.80 CA1 (0.68) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL14438185 0.80 POLB (0.81) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL968083 0.80 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL7175399 0.79 POLB (0.68) MEN1KMT2ASMN1; SMN2MAPTPOLB

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 MEN1 2411/4885KMT2A 4680/4885SMN1; SMN2 2957/4885

“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.