Sugi Predict

Sugi Predict / Compounds / SCHEMBL3758520

SCHEMBL3758520

SCHEMBL3758520

COCc1c(-c2nc(-c3cccc4[nH]ccc34)no2)nnn1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.47
▸ S1PR1 P21453 2/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ KCNN4 O15554 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ POLB P06746 2/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ATR Q13535 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3761396 0.87 TP53 (0.60) TP53S1PR1KCNN4MAPTPOLB
SCHEMBL3750764 0.84 TP53 (0.52) TP53S1PR1KCNN4MAPTPOLB
SCHEMBL3757400 0.83 S1PR1 (0.44) TP53S1PR1S1PR3MAPTPOLB
SCHEMBL3763187 0.81 MAPT (0.49) TP53S1PR1KCNN4MAPTNPC1
SCHEMBL3761545 0.81 TP53 (0.58) TP53S1PR1S1PR3KCNN4MAPT
SCHEMBL3760541 0.81 TP53 (0.61) TP53S1PR1KCNN4MAPTNPC1
SCHEMBL10181585 0.80 TP53 (0.47) TP53S1PR1KCNN4MAPTPOLB
SCHEMBL10179953 0.79 RAB9A (0.47) TP53S1PR1MAPTPOLBNPC1
SCHEMBL3455783 0.78 TP53 (0.43) TP53S1PR1S1PR3KCNN4MAPT
SCHEMBL10179530 0.78 TP53 (0.54) TP53S1PR1MAPTPOLBNPC1

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 10 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
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 517/4885S1PR3 279/4885

“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.