SCHEMBL17100952

SCHEMBL17100952

FC(F)(F)CCc1noc(N2CCN(CCN3CCOCC3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
PSMD14 O00487 1/20 0.32
KMT2A Q03164 1/20 0.32
PIM1 P11309 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL17100666 0.83 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL17100619 0.79 OPRL1 (0.41) SIGMAR1
SCHEMBL17100899 0.76 ALDH1A1 (0.49) SMN1; SMN2SIGMAR1ALDH1A1KDM4EKMT2A
SCHEMBL17100803 0.74 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C9ALDH1A1KDM4EMEN1
SCHEMBL17100740 0.73 LOX (0.35) CYP3A4SIGMAR1
SCHEMBL17100756 0.73 TNKS (0.41) ALDH1A1PARP1
SCHEMBL17100725 0.70 NPC1 (0.43) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL17100856 0.69 DRD2 (0.40) SMN1; SMN2SIGMAR1KDM4EHTT
SCHEMBL12146586 0.68 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10SIGMAR1ALDH1A1KDM4E
SCHEMBL17100722 0.68 SIGMAR1 (0.41) SMN1; SMN2CYP1A2CYP3A4CYP2D6SIGMAR1

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 11 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
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
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-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
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 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 SMN1; SMN2 11/4885HPGD 2149/4885HSD17B10 790/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SMN1; SMN2 11/4885HPGD 2190/4885HSD17B10 902/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SMN1; SMN2 11/4885HPGD 2149/4885HSD17B10 790/4885

“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.