SCHEMBL3455948

SCHEMBL3455948

COCc1c(C(=O)O)nnn1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
KCNN4 O15554 6/20 0.46
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 2/20 0.40
ALOX12 P18054 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
NOTUM Q6P988 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
SCHEMBL3456050 0.88 KCNN4 (0.42) HTTKCNN4ALDH1A1NPSR1TP53
SCHEMBL2217305 0.85 HTT (0.46) HTTKCNN4ALDH1A1NPSR1TP53
SCHEMBL2221002 0.85 HTT (0.41) HTTKCNN4ALDH1A1NPSR1TP53
SCHEMBL1423244 0.84 REN (0.40) HTTKCNN4ALDH1A1NPSR1
SCHEMBL2219573 0.83 HTT (0.43) HTTKCNN4ALDH1A1NPSR1TP53
SCHEMBL3873874 0.82 HTT (0.63) HTTALDH1A1TP53ALOX12CYP1A2
SCHEMBL2215462 0.82 HTT (0.43) HTTKCNN4ALDH1A1NPSR1TP53
SCHEMBL3456118 0.82 HPGD (0.42) HTTKCNN4ALDH1A1NPSR1NOTUM
SCHEMBL3456342 0.81 SMN1; SMN2 (0.45) HTTKCNN4ALDH1A1NPSR1TP53
SCHEMBL2220115 0.81 HTT (0.42) HTTKCNN4ALDH1A1NPSR1TP53

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
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

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 HTT 2520/4885KCNN4 2434/4885ALDH1A1 466/4885

“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.