SCHEMBL924474

SCHEMBL924474

C=CC[C@H]([C@H](O)c1ccccc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
AOC3 Q16853 2/20 0.38
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL8079850 0.71 MEN1 (0.48) CYP2C19MEN1KMT2AALDH1A1LMNA
SCHEMBL8079848 0.71 MEN1 (0.48) CYP2C19MEN1KMT2AALDH1A1LMNA
SCHEMBL8966854 0.71 MEN1 (0.48) CYP2C19MEN1KMT2AALDH1A1LMNA
SCHEMBL2169033 0.70 MEN1 (0.47) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL27006663 0.70 CYP2C19 (0.51) CYP2C19MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5080919 0.70 MEN1 (0.45) CYP2C19MEN1KMT2AALDH1A1LMNA
SCHEMBL5080915 0.70 MEN1 (0.45) CYP2C19MEN1KMT2AALDH1A1LMNA
SCHEMBL2479783 0.70 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL29018886 0.70 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL10527817 0.69 CYP2C19 (0.53) CYP2C19MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CYP2C19 2592/4885MEN1 3013/4885KMT2A 3113/4885

“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.