SCHEMBL595605

SCHEMBL595605

CN(C)c1ccc(CN(CCO)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
CNR2 P34972 1/20 0.47
HDAC1 Q13547 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC3 O15379 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL595577 0.81 SSTR4 (0.49) KMT2AMEN1CNR2HDAC1HDAC6
SCHEMBL766565 0.80 L3MBTL1 (0.58) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL15524818 0.79 HDAC1 (0.44) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL2218290 0.78 KMT2A (0.59) KMT2AMEN1CNR2HDAC1HDAC6
SCHEMBL3614141 0.78 TDP1 (0.54) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL15803304 0.76 HDAC3 (0.44) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL268819 0.75 L3MBTL1 (0.50) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL1336193 0.75 CYP2C9 (0.48) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL20597769 0.75 SNCA (0.51) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL5069046 0.75 MEN1 (0.47) KMT2AMEN1HDAC1HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
EP-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 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 (3 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-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX KMT2A 2710/4885MEN1 2968/4885CNR2 606/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX KMT2A 2710/4885MEN1 2968/4885CNR2 606/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX KMT2A 2710/4885MEN1 2968/4885CNR2 606/4885

“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.