SCHEMBL3457264

SCHEMBL3457264

CCOC(=O)c1nnn(-c2ccccc2F)c1-c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA4 P22748 3/20 0.63
CA9 Q16790 3/20 0.63
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TP53 P04637 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP19A1 P11511 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3457387 0.86 MEN1 (0.53) CA1CA2CA4CA9ALDH1A1
SCHEMBL3455838 0.83 ALDH1A1 (0.57) CA1CA2CA4CA9ALDH1A1
SCHEMBL3455982 0.83 CA1 (0.58) CA1CA2CA4CA9ALDH1A1
SCHEMBL25767433 0.81 TP53 (0.67) ALDH1A1NPSR1TP53ALOX12MAPT
SCHEMBL23771920 0.77 NPSR1 (0.57) ALDH1A1NPSR1TP53ALOX12MAPT
SCHEMBL3457023 0.77 SLC5A1 (0.59) ALDH1A1NPSR1TP53ALOX12MAPT
SCHEMBL3455812 0.76 NPSR1 (0.55) ALDH1A1NPSR1TP53ALOX12MAPT
SCHEMBL3455998 0.74 NPSR1 (0.53) ALDH1A1NPSR1TP53ALOX12MAPT
SCHEMBL17331809 0.72 KDM4E (0.45) CA1CA2CA4CA9ALDH1A1
SCHEMBL3455348 0.72 NPSR1 (0.50) ALDH1A1NPSR1TP53ALOX12MAPT

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 8 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-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

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 CA1 2310/4885CA2 3172/4885CA4 2293/4885

“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.