SCHEMBL3456010

SCHEMBL3456010

O=C(O)c1nnn(-c2ccccc2F)c1CN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2A13 Q16696 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MDM2 Q00987 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.41
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R2 O00459 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
SCHEMBL3458047 0.87 MEN1 (0.50) ALDH1A1SMN1; SMN2CYP2A13MEN1KMT2A
SCHEMBL3455909 0.85 MEN1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL2217305 0.78 HTT (0.46) ALDH1A1MEN1KMT2ATP53HTT
SCHEMBL3456118 0.77 HPGD (0.42) ALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL3457387 0.77 MEN1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL2219573 0.76 HTT (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3455948 0.75 HTT (0.46) ALDH1A1TP53HTT
SCHEMBL2215462 0.75 HTT (0.43) ALDH1A1MEN1KMT2ATP53HTT
SCHEMBL3456137 0.74 HTT (0.37) ALDH1A1SMN1; SMN2SCN9APIK3CDPIK3R2
SCHEMBL2220115 0.74 HTT (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1

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 ALDH1A1 466/4885SMN1; SMN2 1889/4885CYP2A13 869/4885

“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.