Sugi Predict

Sugi Predict / Compounds / SCHEMBL3756827

SCHEMBL3756827

SCHEMBL3756827

COCc1c(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)nnn1-c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.41
▸ MAPT P10636 8/20 0.41
▸ S1PR1 P21453 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 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
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34

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
SCHEMBL10182852 0.90 TP53 (0.42) TP53MAPTS1PR1SMN1; SMN2NPC1
SCHEMBL10181578 0.88 MAPT (0.53) TP53MAPTS1PR1SMN1; SMN2NPC1
SCHEMBL3766224 0.88 MAOA (0.43) TP53MAPTS1PR1SMN1; SMN2NPC1
SCHEMBL3758471 0.86 S1PR1 (0.39) TP53MAPTS1PR1SMN1; SMN2NPC1
SCHEMBL3455783 0.85 TP53 (0.43) TP53MAPTS1PR1SMN1; SMN2NPC1
SCHEMBL3763187 0.85 MAPT (0.49) TP53MAPTS1PR1SMN1; SMN2NPC1
SCHEMBL10179953 0.84 RAB9A (0.47) TP53MAPTS1PR1SMN1; SMN2NPC1
SCHEMBL10179530 0.83 TP53 (0.54) TP53MAPTS1PR1SMN1; SMN2NPC1
SCHEMBL3755993 0.83 S1PR1 (0.52) TP53MAPTS1PR1SMN1; SMN2NPC1
SCHEMBL13765504 0.83 TP53 (0.38) TP53MAPTS1PR1SMN1; SMN2NPC1

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 2220/4885MAPT 2478/4885S1PR1 517/4885

“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.