SCHEMBL211381

SCHEMBL211381

CC(=O)N(CCOC(=O)Nc1cc(C(C)(C)C)on1)NCc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK14 Q16539 3/20 0.44
NPC1 O15118 3/20 0.43
MAPK13 O15264 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
EGFR P00533 1/20 0.41
ATM Q13315 1/20 0.40
FLT3 P36888 5/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL2721995 0.84 KMT2A (0.48) KMT2ARAB9AMEN1MAPTHTT
SCHEMBL209559 0.80 RAB9A (0.39) KMT2ARAB9AMEN1MAPTNPC1
SCHEMBL2880895 0.79 KMT2A (0.42) KMT2ARAB9AMEN1MAPTNPC1
SCHEMBL211363 0.79 TP53 (0.44) KMT2ARAB9AMEN1MAPTNPC1
SCHEMBL212593 0.76 EPHX2 (0.39) RAB9AMAPTNPC1
SCHEMBL209913 0.76 GCK (0.39) KMT2ARAB9AMEN1MAPTNPSR1
SCHEMBL212616 0.75 RAB9A (0.60) KMT2ARAB9AMEN1NPSR1NPC1
SCHEMBL210936 0.74 ALDH1A1 (0.41) KMT2ARAB9AMEN1MAPTHTT
SCHEMBL210507 0.74 CSNK1D (0.47) KMT2ARAB9AMAPTNPC1TSHR
SCHEMBL4342546 0.73 RAB9A (0.58) KMT2ARAB9AMEN1MAPTHTT

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 KMT2A 2418/4885RAB9A 2065/4885MEN1 665/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KMT2A 2418/4885RAB9A 2065/4885MEN1 665/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KMT2A 2418/4885RAB9A 2065/4885MEN1 665/4885

“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.