SCHEMBL17100609

SCHEMBL17100609

Cc1cccnc1CN1CCN(c2nc(-c3ccccc3)no2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
EGLN1 Q9GZT9 4/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
TRPC5 Q9UL62 1/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 4/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
TNKS O95271 1/20 0.43

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
SCHEMBL17115008 0.84 KMT2A (0.55) ALDH1A1KMT2AMEN1L3MBTL1CYP2D6
SCHEMBL17100583 0.80 CYP2D6 (0.71) ALDH1A1KMT2AMEN1L3MBTL1CYP2D6
SCHEMBL17100616 0.79 LMNA (0.67) ALDH1A1KMT2AMEN1L3MBTL1CYP2D6
SCHEMBL17100591 0.77 MAPT (0.58) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL17100772 0.76 MAPT (0.59) ALDH1A1CYP2D6KCNH2LMNAMAPT
SCHEMBL17100762 0.75 CYP2D6 (0.57) ALDH1A1KMT2AMEN1L3MBTL1CYP2D6
SCHEMBL17100624 0.75 KMT2A (0.50) ALDH1A1KMT2AMEN1L3MBTL1CYP2D6
SCHEMBL17100714 0.75 CYP2D6 (0.51) ALDH1A1KMT2AMEN1L3MBTL1CYP2D6
SCHEMBL17100669 0.74 CYP2D6 (0.49) ALDH1A1CYP2D6KCNH2CASP1CASP7
SCHEMBL17100625 0.74 CYP2D6 (0.46) ALDH1A1KMT2AMEN1L3MBTL1CYP2D6

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 ALDH1A1 482/4885KMT2A 4820/4885MEN1 2665/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 561/4885KMT2A 4819/4885MEN1 2837/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 482/4885KMT2A 4820/4885MEN1 2665/4885

“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.