SCHEMBL3355237

SCHEMBL3355237

O=C(O)N(O)CCCNCc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 2/20 0.53
SCN8A Q9UQD0 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
BCHE P06276 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MLYCD O95822 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
PLA2G1B P04054 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45

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
SCHEMBL3351112 0.84 KDM6B (0.46) MEN1KMT2ASCN8AFFAR1MAPK14
SCHEMBL3351531 0.82 MAPK14 (0.50) MEN1KMT2AKDM4ESCN8ABCHE
SCHEMBL7981773 0.79 SCN8A (0.59) MEN1KMT2AKDM4ESCN8ATDP1
SCHEMBL5939473 0.79 FFAR1 (0.62) MEN1KMT2AKDM4ESCN8ATDP1
SCHEMBL4242842 0.78 SCN8A (0.57) MEN1KMT2AKDM4ESCN8ATDP1
SCHEMBL8032628 0.78 SCN8A (0.57) MEN1KMT2AKDM4ESCN8ATDP1
SCHEMBL3348569 0.78 CHRM2 (0.63) MEN1KMT2AKDM4ESCN8ATDP1
SCHEMBL4406202 0.77 SCN8A (0.56) MEN1KMT2AKDM4ESCN8ATDP1
SCHEMBL3508827 0.76 SIGMAR1 (0.63) MEN1KMT2AKDM4ESCN8ATDP1
SCHEMBL10873718 0.76 SCN8A (0.61) MEN1KMT2AKDM4ESCN8ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US 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 (1 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-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP MEN1 2356/4885KMT2A 4650/4885KDM4E 4082/4885

“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.