SCHEMBL690195

SCHEMBL690195

O=C(NCc1ccc(OC(F)(F)F)cc1)c1nnc(-c2cc(Cl)c(O)c(Cl)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
EPHX2 P34913 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
HTR2C P28335 2/20 0.44
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ADRB2 P07550 1/20 0.42
MAPK1 P28482 2/20 0.41
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
PPARG P37231 1/20 0.40
PTGER4 P35408 1/20 0.40
MAPK14 Q16539 1/20 0.40
MRE11 P49959 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL690748 0.89 ROCK2 (0.52) MAPK1MAPK14
SCHEMBL692489 0.85 MAPK14 (0.45) LMNAMAPK14ALDH1A1HPGDSMN1; SMN2
SCHEMBL9611041 0.83 MAPK1 (0.57) LMNAMAPK1MAPK14ALDH1A1HPGD
SCHEMBL692348 0.82 MEN1 (0.49) EPHX2NR1H4MAPK1MAPK14CYP1A2
SCHEMBL690828 0.82 SMN1; SMN2 (0.48) LMNAPPARAALDH1A1CYP1A2CYP2D6
SCHEMBL692237 0.81 PTPN7 (0.42) LMNAMAPK1
SCHEMBL3239497 0.81 KMT2A (0.49) EPHX2NR1H4HTR2CLMNANPSR1
SCHEMBL9613113 0.79 MAPK14 (0.46) LMNAMAPK1MAPK14ALDH1A1HPGD
SCHEMBL690181 0.78 P2RX1 (0.42)
SCHEMBL28617395 0.78 CTSL (0.51) EPHX2NR1H4HTR2CLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560643-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2013-02-27 EP claimed
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
WO-2010123933-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-10-28 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 AKR1C2 669/4885AKR1C1 835/4885EPHX2 2358/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 AKR1C2 1053/4885AKR1C1 1376/4885EPHX2 443/4885

“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.