SCHEMBL211682

SCHEMBL211682

CCN(C(=O)NCc1ccccc1Cl)[C@H](COC(=O)Nc1cc2cc(F)ccc2cn1)CC(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
DYRK1A Q13627 3/20 0.34
GSK3B P49841 2/20 0.34
P2RX7 Q99572 3/20 0.33
ABL1 P00519 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
NR3C1 P04150 1/20 0.32
MAPK8 P45983 1/20 0.32
LMNA P02545 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL213218 0.94 P2RX7 (0.37) P2RX7
SCHEMBL211931 0.91 ANO1 (0.36) ANO1TP53NPC1SMN1; SMN2CYP2D6
SCHEMBL213283 0.90 NPC1 (0.35) ANO1TP53NPC1SMN1; SMN2CYP2D6
SCHEMBL2725125 0.88 ABL1 (0.37) ANO1NPC1ABL1
SCHEMBL212353 0.85 P2RX7 (0.36) P2RX7ABL1
SCHEMBL212899 0.84 MAPK1 (0.34) ANO1MAPK1DYRK1AGSK3BABL1
SCHEMBL210902 0.84 P2RX7 (0.36) P2RX7ABL1
SCHEMBL212344 0.83 ANO1 (0.39) ANO1NPC1SMN1; SMN2MAPK1CYP2C19
SCHEMBL209990 0.83 P2RX7 (0.37) P2RX7ABL1ALDH1A1
SCHEMBL212408 0.83 ANO1 (0.34) ANO1MAPK1DYRK1AGSK3BP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
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-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-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-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-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 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
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 ANO1 1073/4885TP53 2206/4885NPC1 4684/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ANO1 1073/4885TP53 2206/4885NPC1 4684/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ANO1 1073/4885TP53 2206/4885NPC1 4684/4885

“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.