SCHEMBL3758652

SCHEMBL3758652

Fc1ccc(Br)c(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.52
S1PR1 P21453 8/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.38
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL3757178 0.92 TP53 (0.59) TP53S1PR1RAB9ANPC1PKM
SCHEMBL20406035 0.91 TP53 (0.48) TP53S1PR1RAB9ANPC1PKM
SCHEMBL9976603 0.89 TP53 (0.56) TP53S1PR1RAB9ANPC1PKM
SCHEMBL3755894 0.86 TP53 (0.52) TP53S1PR1RAB9ANPC1KMT2A
SCHEMBL3751170 0.86 TP53 (0.56) TP53S1PR1RAB9ANPC1PKM
SCHEMBL3755430 0.85 NPC1 (0.50) TP53S1PR1RAB9ANPC1PKM
SCHEMBL3761084 0.85 NPC1 (0.54) TP53S1PR1RAB9ANPC1PKM
SCHEMBL3763529 0.85 TP53 (0.55) TP53S1PR1RAB9ANPC1PKM
SCHEMBL3756773 0.84 S1PR1 (0.48) TP53S1PR1RAB9ANPC1PKM
SCHEMBL3457937 0.84 TP53 (0.62) TP53S1PR1RAB9ANPC1PKM

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 2220/4885S1PR1 517/4885RAB9A 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.