SCHEMBL924610

SCHEMBL924610

CN1CC(C(=O)O)Oc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 3/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
SIRT1 Q96EB6 3/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1B1 P15121 1/20 0.38
BRD4 O60885 1/20 0.37
RORC P51449 1/20 0.36
PBRM1 Q86U86 1/20 0.36
HSP90AA1 P07900 1/20 0.35
PDK1 Q15118 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
SCHEMBL29527101 0.82 POLB (0.66) POLBL3MBTL1CYP2C9KMT2AMEN1
SCHEMBL3355665 0.82 POLB (0.66) POLBL3MBTL1CYP2C9KMT2AMEN1
SCHEMBL17443415 0.82 NISCH (0.48) POLBL3MBTL1CYP2C9KMT2AMEN1
SCHEMBL925260 0.81 SIRT1 (0.48) POLBL3MBTL1CYP2C9KMT2ASIRT1
SCHEMBL17447904 0.81 POLB (0.44) POLBL3MBTL1CYP2C9KMT2AMEN1
SCHEMBL537789 0.79 POLB (0.53) POLBL3MBTL1CYP2C9KMT2AMEN1
SCHEMBL14781426 0.79 POLB (0.55) POLBL3MBTL1CYP2C9KMT2AMEN1
SCHEMBL18581376 0.78 NISCH (0.57) POLBL3MBTL1CYP2C9KMT2AMEN1
SCHEMBL31378741 0.75 RORC (0.39) CYP2C9CYP3A4CYP2C19RORCPBRM1
SCHEMBL18593251 0.74 POLB (0.41) POLBL3MBTL1CYP2C9KMT2AMEN1

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 6 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
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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 (2 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 POLB 2226/4885L3MBTL1 3489/4885CYP2C9 3151/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP POLB 2226/4885L3MBTL1 3489/4885CYP2C9 3151/4885

“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.