SCHEMBL213919

SCHEMBL213919

CN(C(=O)NCc1cccc(F)c1Cl)C(CCCN1C(=O)c2ccccc2C1=O)COC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ACHE P22303 5/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL213917 1.00 SMN1; SMN2 (0.42) SMN1; SMN2TDP1ALDH1A1MAPTHTT
SCHEMBL213918 1.00 SMN1; SMN2 (0.42) SMN1; SMN2TDP1ALDH1A1MAPTHTT
SCHEMBL210514 0.92 HTT (0.35) SMN1; SMN2HTTMEN1KMT2ALMNA
SCHEMBL210513 0.92 HTT (0.35) SMN1; SMN2HTTMEN1KMT2ALMNA
SCHEMBL210515 0.92 HTT (0.35) SMN1; SMN2HTTMEN1KMT2ALMNA
SCHEMBL2880162 0.92 SMN1; SMN2 (0.41) SMN1; SMN2TDP1ALDH1A1MAPTHTT
SCHEMBL2880161 0.92 SMN1; SMN2 (0.41) SMN1; SMN2TDP1ALDH1A1MAPTHTT
SCHEMBL211266 0.90 CTSK (0.34) ALDH1A1HTTMEN1KMT2ATSHR
SCHEMBL212992 0.88 GRM5 (0.32) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL212991 0.88 GRM5 (0.32) SMN1; SMN2HTTMEN1KMT2ATSHR

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 SMN1; SMN2 252/4885TDP1 1077/4885ALDH1A1 1710/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMN1; SMN2 252/4885TDP1 1077/4885ALDH1A1 1710/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMN1; SMN2 252/4885TDP1 1077/4885ALDH1A1 1710/4885

“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.