SCHEMBL3758553

SCHEMBL3758553

Fc1ccccc1-n1nnc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.44
SLC2A1 P11166 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX15 P16050 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
CNR2 P34972 5/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL10182789 0.94 MAPT (0.41) ALDH1A1MAPTRAB9ALMNAHTT
SCHEMBL3752826 0.85 MAPT (0.52) ALDH1A1MAPTRAB9ANPSR1GAA
SCHEMBL3760558 0.81 TP53 (0.55) ALDH1A1MAPTLMNASLC2A1S1PR1
SCHEMBL3761171 0.80 MAPT (0.54) ALDH1A1MAPTRAB9ANPSR1GAA
SCHEMBL20405677 0.80 MAPT (0.45) ALDH1A1MAPTRAB9ANPSR1GAA
SCHEMBL3755472 0.79 NPC1 (0.56) ALDH1A1MAPTRAB9ALMNANPSR1
SCHEMBL3757179 0.79 S1PR1 (0.45) ALDH1A1MAPTRAB9ALMNANPC1
SCHEMBL3751149 0.74 ALOX5 (0.43) ALDH1A1MAPTRAB9ALMNANPSR1
SCHEMBL3763713 0.74 TP53 (0.56) ALDH1A1MAPTLMNAS1PR1CASP1
SCHEMBL10179957 0.73 ALDH1A1 (0.43) ALDH1A1MAPTLMNANPC1S1PR1

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 ALDH1A1 466/4885MAPT 2478/4885RAB9A 2114/4885

“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.