Sugi Predict

Sugi Predict / Compounds / SCHEMBL3758569

SCHEMBL3758569

SCHEMBL3758569

Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2C2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.53
▸ NPC1 O15118 6/20 0.39
▸ RAB9A P51151 6/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PLAT P00750 2/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL3763721 0.94 TP53 (0.57) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3755998 0.92 TP53 (0.55) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL10179153 0.91 TP53 (0.56) TP53SIGMAR1MAPTRXFP1
SCHEMBL13765446 0.90 TP53 (0.52) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3756749 0.85 TP53 (0.60) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3751207 0.85 TP53 (0.52) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL10179407 0.84 TP53 (0.52) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3748532 0.83 TP53 (0.58) TP53MAPTRXFP1
SCHEMBL20405457 0.82 TP53 (0.39) TP53MAPTRXFP1
SCHEMBL10181575 0.81 MAPT (0.47) TP53NPC1RAB9ASMN1; SMN2KMT2A

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 2220/4885NPC1 4730/4885RAB9A 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.