SCHEMBL693409

SCHEMBL693409

CCOC(=O)c1nnc(-c2cc(Cl)c(O)c(Cl)c2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
POLB P06746 2/20 0.52
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
MPI P34949 1/20 0.42
NOTUM Q6P988 1/20 0.41
KMT2A Q03164 2/20 0.40
TARBP2 Q15633 1/20 0.40
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX5 P09917 1/20 0.40
ESR1 P03372 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9613114 0.94 CA1 (0.52) CA1CA2POLBHSD17B10SMN1; SMN2
SCHEMBL11482465 0.83 CA1 (0.60) CA1CA2POLBHSD17B10SMN1; SMN2
SCHEMBL165878 0.81 POLB (0.76) CA1CA2POLBHSD17B10SMN1; SMN2
SCHEMBL9611042 0.80 NOTUM (0.41) POLBSMN1; SMN2RAB9ANOTUMALDH1A1
SCHEMBL30578679 0.80 CA1 (0.57) CA1CA2POLBHSD17B10SMN1; SMN2
SCHEMBL30949366 0.80 POLB (0.74) CA1CA2POLBHSD17B10SMN1; SMN2
SCHEMBL29235858 0.79 HSD17B10 (0.55) CA1CA2POLBHSD17B10SMN1; SMN2
SCHEMBL114885 0.77 CA1 (0.67) CA1CA2POLBHSD17B10SMN1; SMN2
SCHEMBL326764 0.77 CA1 (0.71) CA1CA2POLBHSD17B10SMN1; SMN2
SCHEMBL29235857 0.77 CA1 (0.60) CA1CA2POLBHSD17B10SMN1; SMN2

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 12 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 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
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
US-20100267725-A1 Compounds, Compositions and Methods Comprising 4N-Substituted Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 US disclosed
US-20100267725-A1 Compounds, Compositions and Methods Comprising 4N-Substituted Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 US disclosed
US-20100267725-A1 Compounds, Compositions and Methods Comprising 4N-Substituted Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 US 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 (3 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 CA1 3753/4885CA2 1288/4885POLB 3401/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 CA1 237/4885CA2 7/4885POLB 4092/4885
US-20100267725-A1 Compounds, Compositions and Methods Comprising 4N-Substituted Triazole Derivatives CFTR, PKD1, PKD2 CA1 4139/4885CA2 1623/4885POLB 3797/4885

“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.