SCHEMBL3458047

SCHEMBL3458047

COC(=O)c1nnn(-c2ccccc2F)c1CN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 5/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
CYP2A13 Q16696 1/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MDM2 Q00987 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KCNH2 Q12809 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3455909 0.90 MEN1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2TP53
SCHEMBL3456010 0.87 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3457387 0.81 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2RXFP1
SCHEMBL3456315 0.78 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL3456342 0.75 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL20162908 0.75 GAA (0.51) MEN1KMT2AALDH1A1TP53GAA
SCHEMBL30036841 0.75 GAA (0.51) MEN1KMT2AALDH1A1TP53GAA
SCHEMBL3455948 0.69 HTT (0.46) ALDH1A1TP53NPSR1
SCHEMBL13765570 0.69 MEN1 (0.47) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL3455348 0.68 NPSR1 (0.50) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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 6 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-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 MEN1 1611/4885KMT2A 2565/4885ALDH1A1 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.