SCHEMBL17100677

SCHEMBL17100677

O=S(=O)(c1ccc(OC(F)F)cc1)N1CCN(c2nc(Cc3cccc(Cl)c3)no2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
LMNA P02545 6/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGDR Q13258 5/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
KDM2B Q8NHM5 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL17100735 0.90 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2PTGDRPKM
SCHEMBL17100794 0.89 LMNA (0.44) ALDH1A1LMNAMAPK1KDM4EKMT2A
SCHEMBL17100728 0.89 LMNA (0.41) ALDH1A1LMNATSHRKMT2ASMN1; SMN2
SCHEMBL17101017 0.89 ALDH1A1 (0.61) ALDH1A1LMNATSHRMAPK1KDM4E
SCHEMBL17100859 0.88 ALDH1A1 (0.39) ALDH1A1LMNAKMT2ASMN1; SMN2PTGDR
SCHEMBL17100715 0.87 L3MBTL1 (0.50) ALDH1A1LMNATSHRMAPK1KDM4E
SCHEMBL17100888 0.87 L3MBTL1 (0.50) ALDH1A1LMNATSHRMAPK1KDM4E
SCHEMBL17100769 0.83 PTGDR (0.47) ALDH1A1PTGDRPOLB
SCHEMBL17100787 0.81 MEN1 (0.40) ALDH1A1LMNAKMT2ASMN1; SMN2PTGDR
SCHEMBL17100956 0.80 LMNA (0.42) ALDH1A1LMNATSHRKDM4EKMT2A

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 15 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-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 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
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 482/4885LMNA 760/4885TSHR 1833/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 561/4885LMNA 748/4885TSHR 1962/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 482/4885LMNA 760/4885TSHR 1833/4885

“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.