SCHEMBL969326

SCHEMBL969326

COC(=O)c1cccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 6/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 9/20 0.53
RAB9A P51151 9/20 0.53
TP53 P04637 1/20 0.52
HPGD P15428 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GSK3B P49841 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.47
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL967418 1.00 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL969800 0.93 KDM4E (0.57) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL968083 0.91 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL966460 0.88 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4EMAPTTP53
SCHEMBL968069 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL967102 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL968281 0.86 MYC (0.58) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL1505169 0.86 MYC (0.58) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL12920429 0.85 TP53 (0.57) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL13780841 0.85 KDM4E (0.49) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1

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
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

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 2957/4885ALDH1A1 1377/4885KDM4E 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.