SCHEMBL212271

SCHEMBL212271

CN(C(=O)NCc1ccccc1Cl)[C@H](COC(=O)Nc1cc2ccccc2cn1)C(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.38
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOTUM Q6P988 1/20 0.36
CTSK P43235 1/20 0.35
HTT P42858 2/20 0.35
MAPK8 P45983 2/20 0.35
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL212344 0.88 ANO1 (0.39) ANO1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2723229 0.88 NPC1 (0.41) ANO1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2723698 0.88 NPC1 (0.41) ANO1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL212304 0.87 ANO1 (0.38) ANO1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL212803 0.86 CTSK (0.38) ANO1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL212598 0.86 MAPK1 (0.38) ANO1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2722986 0.86 ALDH1A1 (0.42) ANO1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL210576 0.86 NPC1 (0.40) ANO1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2722110 0.86 ALDH1A1 (0.42) ANO1NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2721521 0.86 ALDH1A1 (0.42) ANO1NPC1SMN1; SMN2ALDH1A1LMNA

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 1073/4885NPC1 4684/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ANO1 1073/4885NPC1 4684/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ANO1 1073/4885NPC1 4684/4885SMN1; SMN2 252/4885

“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.