SCHEMBL3763713

SCHEMBL3763713

Fc1ccc(F)c(-c2noc(-c3nnn(-c4ccccc4F)c3CN3CCCC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.56
S1PR1 P21453 10/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3760558 0.93 TP53 (0.55) TP53S1PR1ALDH1A1MAPTLMNA
SCHEMBL3751123 0.85 TP53 (0.64) TP53S1PR1MAPTSMN1; SMN2
SCHEMBL3456025 0.85 TP53 (0.61) TP53S1PR1MAPTSMN1; SMN2
SCHEMBL27962923 0.84 TP53 (0.59) TP53S1PR1MAPTSMN1; SMN2
SCHEMBL3756779 0.83 TP53 (0.61) TP53S1PR1MAPTSMN1; SMN2
SCHEMBL3760541 0.83 TP53 (0.61) TP53S1PR1MAPT
SCHEMBL3770756 0.81 TP53 (0.59) TP53S1PR1MAPT
SCHEMBL12997780 0.81 TP53 (0.54) TP53S1PR1ALDH1A1MAPTLMNA
SCHEMBL3756559 0.80 TP53 (0.53) TP53S1PR1MAPT
SCHEMBL9928667 0.80 TP53 (0.84) TP53S1PR1MAPTSMN1; 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 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.