SCHEMBL3760558

SCHEMBL3760558

Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3CN3CCOCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.55
S1PR1 P21453 7/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
SLC2A1 P11166 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
SCHEMBL3763713 0.93 TP53 (0.56) TP53S1PR1ALDH1A1MAPK1LMNA
SCHEMBL3751123 0.84 TP53 (0.64) TP53S1PR1MAPTSMN1; SMN2POLB
SCHEMBL3456025 0.84 TP53 (0.61) TP53S1PR1MAPTSMN1; SMN2
SCHEMBL27962923 0.82 TP53 (0.59) TP53S1PR1MAPTSMN1; SMN2
SCHEMBL3756779 0.81 TP53 (0.61) TP53S1PR1MAPTSMN1; SMN2
SCHEMBL3760541 0.81 TP53 (0.61) TP53S1PR1MAPT
SCHEMBL3758553 0.81 ALDH1A1 (0.46) TP53S1PR1ALDH1A1LMNAMAPT
SCHEMBL10179153 0.80 TP53 (0.56) TP53S1PR1MAPT
SCHEMBL3770756 0.80 TP53 (0.59) TP53S1PR1MAPT
SCHEMBL10182789 0.80 MAPT (0.41) TP53S1PR1ALDH1A1LMNAMAPT

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 9 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
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 TP53 2220/4885S1PR1 517/4885ALDH1A1 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.