SCHEMBL3351531

SCHEMBL3351531

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
KDM5A P29375 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ROCK1 Q13464 2/20 0.45
CNR1 P21554 1/20 0.45
ROCK2 O75116 1/20 0.45
ALDH1A1 P00352 1/20 0.45
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GLS O94925 2/20 0.43
CHRM2 P08172 1/20 0.43
ATM Q13315 1/20 0.43
BCHE P06276 1/20 0.43
MMP13 P45452 1/20 0.42
CETP P11597 1/20 0.42

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
SCHEMBL3350267 0.85 SCN8A (0.50) KDM4ESCN8A
SCHEMBL3348569 0.84 CHRM2 (0.63) KDM4EMEN1KMT2AALDH1A1CHRM2
SCHEMBL3355237 0.82 MEN1 (0.53) MAPK14KDM4EMEN1KMT2AFFAR4
SCHEMBL4598244 0.81 CHRM2 (0.54) MAPK14KDM5AKDM4CKDM5BROCK1
SCHEMBL14966127 0.80 USP28 (0.62) MAPK14KDM5AKDM4CKDM5BKDM4E
SCHEMBL9902980 0.77 CHRM2 (0.50) MAPK14KDM5AKDM4CKDM5BROCK1
SCHEMBL16268378 0.76 CARM1 (0.48) MAPK14KDM5AKDM4CKDM5BKDM4E
SCHEMBL3356515 0.76 HDAC3 (0.44) KMT2ACHRM2BCHE
SCHEMBL20776850 0.74 CARM1 (0.51) MAPK14KDM5AKDM4CKDM5BKDM4E
SCHEMBL4575197 0.74 BCHE (0.53) MAPK14KDM4EMEN1KMT2AALDH1A1

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 MAPK14 4454/4885KDM5A 4243/4885KDM4C 4360/4885

“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.