Sugi Predict

Sugi Predict / Compounds / SCHEMBL3760700

SCHEMBL3760700

SCHEMBL3760700

Oc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccc3)n2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.50
▸ MAPT P10636 4/20 0.43
▸ S1PR1 P21453 5/20 0.41
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ 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
▸ RELA Q04206 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ BLVRB P30043 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3756805 0.90 TP53 (0.59) TP53MAPTS1PR1NPC1RAB9A
SCHEMBL3754671 0.88 TP53 (0.59) TP53MAPTS1PR1NPC1RAB9A
SCHEMBL3469525 0.88 TP53 (0.48) TP53MAPTS1PR1NPC1RAB9A
SCHEMBL20405745 0.88 TP53 (0.50) TP53MAPTS1PR1NPC1RAB9A
SCHEMBL3766906 0.85 MAPT (0.53) TP53MAPTS1PR1NPC1RAB9A
SCHEMBL3455957 0.84 NPC1 (0.50) TP53MAPTS1PR1NPC1RAB9A
SCHEMBL3457937 0.84 TP53 (0.62) TP53MAPTS1PR1NPC1RAB9A
SCHEMBL3760339 0.82 S1PR1 (0.51) TP53MAPTS1PR1NPC1RAB9A
SCHEMBL3751170 0.81 TP53 (0.56) TP53MAPTS1PR1NPC1RAB9A
SCHEMBL3766280 0.81 TP53 (0.57) TP53MAPTS1PR1NPC1RAB9A

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.