SCHEMBL3386010

SCHEMBL3386010

COC(N)CCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CASR P41180 1/20 0.46
LMNA P02545 2/20 0.45
PKM P14618 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL5391325 0.83 LMNA (0.44) MEN1KMT2ACASRLMNAPKM
SCHEMBL203277 0.83 MEN1 (0.50) MEN1KMT2ALMNANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL18342467 0.81 ALDH1A1 (0.49) MEN1KMT2ALMNANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL18342469 0.81 ALDH1A1 (0.49) MEN1KMT2ALMNANPSR1ALDH1A1
Trifluoroacetic Acid SCHEMBL18342384 0.75 ALDH1A1 (0.44) MEN1KMT2ALMNANPSR1ALDH1A1
Trifluoroacetic Acid SCHEMBL20479843 0.75 ALDH1A1 (0.44) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL4253478 0.75 CSNK1E (0.51) MEN1KMT2ALMNAPKMNPSR1
SCHEMBL574486 0.73 LMNA (0.61) MEN1KMT2ALMNAPKMNPSR1
SCHEMBL1023411 0.73 CARM1 (0.55) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL16678595 0.73 KMT2A (0.45) MEN1KMT2ALMNAPKMNPSR1

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 4650/4885CASR 2012/4885

“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.