SCHEMBL17100600

SCHEMBL17100600

Cc1ccccc1CN1CCN(c2nc(CCC(F)(F)F)no2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2A13 Q16696 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
TRPC5 Q9UL62 3/20 0.40
ACHE P22303 1/20 0.40
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PHGDH O43175 1/20 0.38

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
SCHEMBL17100899 0.88 ALDH1A1 (0.49) KMT2ARAB9AKDM4EALDH1A1TDP1
SCHEMBL17100756 0.84 TNKS (0.41) NPSR1ALDH1A1TNKSPARP1TNKS2
SCHEMBL17115036 0.82 ALDH1A1 (0.47) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL17100803 0.82 SMN1; SMN2 (0.39) NPSR1KMT2AMEN1KDM4EALDH1A1
SCHEMBL17100661 0.81 LMNA (0.55) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL17100858 0.77 LMNA (0.57) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL17100853 0.77 NPSR1 (0.52) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL17100710 0.77 NPSR1 (0.52) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL17115008 0.76 KMT2A (0.55) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL17100952 0.75 SMN1; SMN2 (0.35) KMT2AMEN1KDM4ELMNAALDH1A1

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 NPSR1 2545/4885KMT2A 4820/4885MEN1 2665/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT NPSR1 2716/4885KMT2A 4819/4885MEN1 2837/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT NPSR1 2545/4885KMT2A 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.