SCHEMBL17100735

SCHEMBL17100735

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.40
PKM P14618 2/20 0.39
PTGDR Q13258 2/20 0.39
HTT P42858 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
PIK3CA P42336 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
SCHEMBL17100769 0.92 PTGDR (0.47) ALDH1A1POLBPTGDR
SCHEMBL17100677 0.90 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2LMNAPKM
SCHEMBL17100728 0.90 LMNA (0.41) ALDH1A1POLBSMN1; SMN2LMNAPKM
SCHEMBL17100660 0.89 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2LMNAPKM
SCHEMBL17100917 0.89 PKM (0.47) ALDH1A1POLBSMN1; SMN2GAALMNA
SCHEMBL17100859 0.89 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAALMNAPKM
SCHEMBL17100716 0.88 KMT2A (0.48) ALDH1A1POLBSMN1; SMN2GAALMNA
SCHEMBL17100582 0.88 GBA1 (0.47) ALDH1A1POLBSMN1; SMN2GAALMNA
SCHEMBL17100746 0.88 KMT2A (0.48) ALDH1A1POLBSMN1; SMN2GAALMNA
SCHEMBL17100794 0.85 LMNA (0.44) ALDH1A1POLBSMN1; SMN2LMNAPTGDR

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 14 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

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 482/4885POLB 2985/4885SMN1; SMN2 11/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 561/4885POLB 2935/4885SMN1; SMN2 11/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 482/4885POLB 2985/4885SMN1; SMN2 11/4885

“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.