SCHEMBL3456050

SCHEMBL3456050

COCCc1c(C(=O)O)nnn1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CTSA P10619 2/20 0.38
TP53 P04637 2/20 0.37
MET P08581 1/20 0.36
ALOX12 P18054 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
SCHEMBL1423244 0.92 REN (0.40) KCNN4HTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL3455948 0.88 HTT (0.46) KCNN4HTTNPSR1ALDH1A1TP53
SCHEMBL2219573 0.86 HTT (0.43) KCNN4HTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL2220115 0.84 HTT (0.42) KCNN4HTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL2217305 0.83 HTT (0.46) KCNN4HTTNPSR1ALDH1A1TP53
SCHEMBL2219776 0.83 REN (0.37) KCNN4HTTSMN1; SMN2ALDH1A1
SCHEMBL2217374 0.81 ALDH1A1 (0.39) KCNN4HTTNPSR1ALDH1A1MET
SCHEMBL2215462 0.80 HTT (0.43) KCNN4HTTNPSR1ALDH1A1TP53
SCHEMBL3456118 0.80 HPGD (0.42) KCNN4HTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL3456342 0.79 SMN1; SMN2 (0.45) KCNN4HTTNPSR1SMN1; SMN2ALDH1A1

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 12 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
CN-101918395-B Triazole oxadiazole derivatives MERCK SERONO SA 2014-04-16 CN 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
CN-101918395-A Triazole oxadiazole derivatives MERCK SERONO SA 2010-12-15 CN 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 KCNN4 2434/4885HTT 2520/4885NPSR1 1081/4885

“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.