SCHEMBL3456137

SCHEMBL3456137

O=C(O)c1nnn(-c2ccccc2F)c1C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
NOTUM Q6P988 1/20 0.37
DHODH Q02127 4/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
CNR2 P34972 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
PIK3R3 Q92569 1/20 0.36
SCN9A Q15858 3/20 0.36
SCN10A Q9Y5Y9 2/20 0.36

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
SCHEMBL3463266 0.91 HTT (0.41) HTTNOTUMDHODHALDH1A1SMURF1
SCHEMBL3456037 0.89 TP53 (0.47) HTTALDH1A1SMN1; SMN2
SCHEMBL3455582 0.89 DHODH (0.41) HTTNOTUMDHODHALDH1A1SMURF1
SCHEMBL3455348 0.84 NPSR1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL3456290 0.81 DRD2 (0.37) HTTNOTUMDHODHSCN9AALDH1A1
SCHEMBL9928680 0.79 TP53 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL13765447 0.75 DHODH (0.31) DHODH
SCHEMBL31756217 0.75 CCR1 (0.37) CNR2ALDH1A1SMN1; SMN2
SCHEMBL3455812 0.74 NPSR1 (0.55) ALDH1A1SMN1; SMN2
SCHEMBL3456010 0.74 ALDH1A1 (0.47) HTTPIK3CDPIK3R2PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 HTT 2520/4885NOTUM 4794/4885DHODH 1884/4885

“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.