SCHEMBL3456315

SCHEMBL3456315

COC(=O)c1nnn(-c2ccccc2F)c1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
KCNN4 O15554 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
RNASEH1 O60930 1/20 0.40
PLA2G2A P14555 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3456342 0.97 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2TP53MEN1KMT2A
SCHEMBL3456118 0.86 HPGD (0.42) SMN1; SMN2KMT2AALDH1A1NPSR1KCNN4
SCHEMBL30036841 0.80 GAA (0.51) TP53MEN1KMT2AALDH1A1NPSR1
SCHEMBL20162908 0.80 GAA (0.51) TP53MEN1KMT2AALDH1A1NPSR1
SCHEMBL25311241 0.78 CYP1A2 (0.54) SMN1; SMN2CYP1A2TP53MEN1KMT2A
SCHEMBL3458047 0.78 MEN1 (0.50) SMN1; SMN2TP53MEN1KMT2AALDH1A1
SCHEMBL3455948 0.77 HTT (0.46) CYP1A2TP53ALDH1A1NPSR1KCNN4
SCHEMBL3456050 0.75 KCNN4 (0.42) SMN1; SMN2TP53ALDH1A1NPSR1KCNN4
SCHEMBL2221002 0.75 HTT (0.41) TP53MEN1KMT2AALDH1A1NPSR1
SCHEMBL2217305 0.75 HTT (0.46) TP53MEN1KMT2AALDH1A1NPSR1

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 5 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
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
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 SMN1; SMN2 1889/4885CYP1A2 543/4885TP53 2220/4885

“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.