SCHEMBL17100899

SCHEMBL17100899

FC(F)(F)CCc1noc(N2CCN(Cc3ccccc3Cl)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.49
PLA2G1B P04054 1/20 0.49
RAB9A P51151 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
SIGMAR1 Q99720 1/20 0.45
KMT2A Q03164 1/20 0.44
CYP2A13 Q16696 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 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
SCHEMBL17115036 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL17100600 0.88 NPSR1 (0.45) ALDH1A1KDM4ERAB9AMAPTGAA
SCHEMBL17100756 0.85 TNKS (0.41) ALDH1A1DRD4KCNH2
SCHEMBL17100743 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL17100619 0.79 OPRL1 (0.41) SIGMAR1DRD2DRD4DRD3
SCHEMBL17100803 0.78 SMN1; SMN2 (0.39) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL17100952 0.76 SMN1; SMN2 (0.35) ALDH1A1KDM4EHTTMAPTSIGMAR1
SCHEMBL17100762 0.75 CYP2D6 (0.57) ALDH1A1KDM4EPLA2G1BRAB9AATG4B
SCHEMBL17100666 0.73 ALDH1A1 (0.38) ALDH1A1DRD3
SCHEMBL17115088 0.73 KDM4E (0.36) KDM4ESMN1; SMN2TDP1

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 13 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-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 ALDH1A1 482/4885KDM4E 4760/4885PLA2G1B 4322/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 561/4885KDM4E 4743/4885PLA2G1B 4345/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 482/4885KDM4E 4760/4885PLA2G1B 4322/4885

“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.