SCHEMBL690181

SCHEMBL690181

O=C(NCc1cc(F)cc(C(F)(F)F)c1)c1nnc(-c2cc(Cl)c(O)c(Cl)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
MAPT P10636 1/20 0.40
PTGES O14684 2/20 0.39
THRB P10828 1/20 0.39
NAMPT P43490 1/20 0.38
MAOB P27338 1/20 0.38
ADCY8 P40145 2/20 0.38
ADCY1 Q08828 2/20 0.38
TACR1 P25103 1/20 0.38
MLYCD O95822 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
CLPP Q16740 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1114319 0.83 SMN1; SMN2 (0.54) P2RX1TMPRSS4MAPTPTGESNAMPT
SCHEMBL692237 0.81 PTPN7 (0.42) THRBCLPP
SCHEMBL692348 0.78 MEN1 (0.49)
SCHEMBL690195 0.78 AKR1C2 (0.46)
SCHEMBL9611041 0.77 MAPK1 (0.57) THRBMAOBHTTTP53POLB
SCHEMBL690748 0.76 ROCK2 (0.52) NAMPT
SCHEMBL692220 0.74 HIF1A (0.47) MAPT
SCHEMBL692489 0.73 MAPK14 (0.45) CYP3A4HTTPOLB
SCHEMBL1114255 0.72 KMT2A (0.53) MAPTTP53POLB
SCHEMBL2398571 0.71 P2RX1 (0.41) P2RX1TMPRSS4PTGESNAMPTMAOB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US claimed
EP-2421528-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2012-02-29 EP claimed
WO-2011133596-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-10-27 WO claimed
EP-2560643-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2013-02-27 EP disclosed
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US disclosed
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US disclosed
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US disclosed
EP-2421528-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2012-02-29 EP disclosed
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 US disclosed
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 US disclosed
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 US disclosed
WO-2011133596-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-10-27 WO disclosed
WO-2011133596-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-10-27 WO disclosed
WO-2010123933-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-10-28 WO disclosed
WO-2010123933-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-10-28 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 (2 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-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES CFTR, PKD1, PKD2 P2RX1 330/4885TMPRSS4 2469/4885MAPT 4847/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 P2RX1 212/4885TMPRSS4 4525/4885MAPT 3709/4885

“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.