SCHEMBL17100653

SCHEMBL17100653

COc1ccc(CN2CCN(c3nc(-c4ccccc4)no3)CC2)c(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 2/20 0.57
TP53 P04637 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.55
TSHR P16473 2/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 5/20 0.51
GLA P06280 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
APOBEC3A P31941 1/20 0.47

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
SCHEMBL17100663 0.91 MAPT (0.55) MEN1KMT2AL3MBTL1KDM4ETP53
SCHEMBL17100942 0.90 MAPT (0.60) KDM4ETP53ALDH1A1HTTTSHR
SCHEMBL17100703 0.87 KDM4E (0.56) MEN1KMT2AL3MBTL1KDM4ETP53
SCHEMBL17100662 0.86 KDM4E (0.53) MEN1KMT2AL3MBTL1KDM4ETP53
SCHEMBL17115008 0.79 KMT2A (0.55) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL17100634 0.79 MAPT (0.65) MEN1KMT2AL3MBTL1TP53ALDH1A1
SCHEMBL17100762 0.78 CYP2D6 (0.57) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL17100782 0.77 MAPT (0.51) MEN1KMT2AL3MBTL1KDM4ETP53
SCHEMBL17100583 0.77 CYP2D6 (0.71) MEN1KMT2AL3MBTL1TP53ALDH1A1
SCHEMBL17100714 0.77 CYP2D6 (0.51) MEN1KMT2AL3MBTL1KDM4ETP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US claimed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US claimed
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 EP claimed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO claimed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 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 (3 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-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT MEN1 2665/4885KMT2A 4820/4885L3MBTL1 37/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT MEN1 2837/4885KMT2A 4819/4885L3MBTL1 31/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT MEN1 2665/4885KMT2A 4820/4885L3MBTL1 37/4885

“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.