SCHEMBL3455909

SCHEMBL3455909

CCOC(=O)c1nnn(-c2ccccc2F)c1CN1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 9/20 0.52
NPSR1 Q6W5P4 6/20 0.52
TSHR P16473 5/20 0.52
RXFP1 Q9HBX9 2/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 2/20 0.45
ALOX12 P18054 1/20 0.45
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL3458047 0.90 MEN1 (0.50) MEN1KMT2AALDH1A1NPSR1TSHR
SCHEMBL3457387 0.90 MEN1 (0.53) MEN1KMT2AALDH1A1NPSR1TSHR
SCHEMBL3456010 0.85 ALDH1A1 (0.47) MEN1KMT2AALDH1A1RXFP1TP53
SCHEMBL3455348 0.79 NPSR1 (0.50) MEN1KMT2AALDH1A1NPSR1TSHR
SCHEMBL25767433 0.78 TP53 (0.67) KMT2AALDH1A1NPSR1MAPTTP53
SCHEMBL3456037 0.76 TP53 (0.47) MEN1KMT2AALDH1A1NPSR1TSHR
SCHEMBL3455812 0.75 NPSR1 (0.55) MEN1KMT2AALDH1A1NPSR1TSHR
SCHEMBL23771920 0.74 NPSR1 (0.57) ALDH1A1NPSR1MAPTTP53ALOX12
SCHEMBL3457023 0.74 SLC5A1 (0.59) ALDH1A1NPSR1MAPTTP53ALOX12
SCHEMBL3758629 0.74 NPSR1 (0.49) MEN1KMT2AALDH1A1NPSR1TSHR

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 11 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
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 MEN1 1611/4885KMT2A 2565/4885ALDH1A1 466/4885

“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.