Sugi Predict

Sugi Predict / Compounds / SCHEMBL3465830

SCHEMBL3465830

SCHEMBL3465830

O=C(O)c1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccc3)n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.46
▸ BLVRB P30043 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ RARA P10276 4/20 0.46
▸ RARB P10826 4/20 0.46
▸ RARG P13631 4/20 0.46
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 4/20 0.43
▸ S1PR1 P21453 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ S1PR3 Q99500 1/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL20406019 0.92 MAPT (0.44) MAOABLVRBHDAC6RARARARB
SCHEMBL3456402 0.91 NPC1 (0.48) MAOABLVRBHDAC6RARARARB
SCHEMBL3755918 0.89 MAPT (0.46) MAOABLVRBHDAC6RARARARB
SCHEMBL3766906 0.86 MAPT (0.53) MAPTTP53S1PR1RXFP1NPC1
SCHEMBL20406006 0.84 MAPT (0.47) MAPTTP53S1PR1RXFP1NPC1
SCHEMBL3469525 0.83 TP53 (0.48) MAOABLVRBHDAC6RARARARB
SCHEMBL3760933 0.83 NPC1 (0.62) MAOABLVRBHDAC6MAPTTP53
SCHEMBL3468631 0.83 MAPT (0.50) MAPTTP53NPC1RAB9APOLB
SCHEMBL3756824 0.82 S1PR1 (0.49) MAPTTP53S1PR1RXFP1S1PR3
SCHEMBL3760855 0.81 NPC1 (0.52) MAPTTP53S1PR1S1PR3NPC1

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
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
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 — — EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 — — WO 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 MAOA 3074/4885BLVRB 3218/4885HDAC6 218/4885

“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.