SCHEMBL3766280

SCHEMBL3766280

COc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.57
RAB9A P51151 7/20 0.57
NPC1 O15118 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.48
KCNN4 O15554 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
GLA P06280 1/20 0.45
S1PR1 P21453 3/20 0.44

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
SCHEMBL3756891 0.93 TP53 (0.59) TP53RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3754671 0.89 TP53 (0.59) TP53RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3755894 0.87 TP53 (0.52) TP53RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3755967 0.86 TP53 (0.54) TP53RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3766906 0.86 MAPT (0.53) TP53RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3457937 0.84 TP53 (0.62) TP53RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3756805 0.84 TP53 (0.59) TP53RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3753630 0.84 TP53 (0.58) TP53RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3750764 0.83 TP53 (0.52) TP53RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3456236 0.83 S1PR5 (0.47) TP53S1PR1

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 2220/4885RAB9A 2114/4885NPC1 4730/4885

“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.