SCHEMBL3766252

SCHEMBL3766252

COCc1c(-c2nc(-c3ccc(N)nc3)no2)nnn1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 11/20 0.42
S1PR1 P21453 1/20 0.40
MAPT P10636 7/20 0.39
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC5 Q9UQL6 1/20 0.36
KCNN4 O15554 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10181616 0.90 TP53 (0.45) TP53S1PR1MAPTRXFP1NPC1
SCHEMBL3763187 0.86 MAPT (0.49) TP53S1PR1MAPTRXFP1NPC1
SCHEMBL3455783 0.85 TP53 (0.43) TP53S1PR1MAPTRXFP1NPC1
SCHEMBL3760886 0.85 PPARA (0.45) TP53S1PR1MAPTNPC1NFKB1
SCHEMBL10179530 0.85 TP53 (0.54) TP53S1PR1MAPTNPC1NFKB1
SCHEMBL3760776 0.85 CA9 (0.47) TP53S1PR1
SCHEMBL10181578 0.84 MAPT (0.53) TP53S1PR1MAPTRXFP1NPC1
SCHEMBL10179953 0.84 RAB9A (0.47) TP53S1PR1MAPTNPC1NFKB1
SCHEMBL27829115 0.83 TP53 (0.45) TP53S1PR1MAPTRXFP1NPC1
SCHEMBL20405488 0.83 TP53 (0.42) TP53S1PR1MAPTRXFP1NPC1

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
CN-101918395-B Triazole oxadiazole derivatives MERCK SERONO SA 2014-04-16 CN 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
CN-101918395-A Triazole oxadiazole derivatives MERCK SERONO SA 2010-12-15 CN 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 517/4885MAPT 2478/4885

“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.