SCHEMBL210514

SCHEMBL210514

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](CCCN1C(=O)c2ccccc2C1=O)COC(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
PTGES O14684 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 1/20 0.34
P2RX7 Q99572 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
SCN9A Q15858 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
ACHE P22303 4/20 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
SCHEMBL210513 1.00 HTT (0.35) HTTPTGESMEN1KMT2AHCRTR1
SCHEMBL210515 1.00 HTT (0.35) HTTPTGESMEN1KMT2AHCRTR1
SCHEMBL213919 0.92 SMN1; SMN2 (0.42) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL213918 0.92 SMN1; SMN2 (0.42) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL213917 0.92 SMN1; SMN2 (0.42) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL212183 0.88 SCN9A (0.35) PTGESHCRTR1P2RX7SCN9A
SCHEMBL209890 0.88 SCN9A (0.35) PTGESHCRTR1P2RX7SCN9A
SCHEMBL212184 0.88 SCN9A (0.35) PTGESHCRTR1P2RX7SCN9A
SCHEMBL211266 0.88 CTSK (0.34) HTTMEN1KMT2ALMNAACHE
SCHEMBL212992 0.86 GRM5 (0.32) HTTMEN1KMT2ASMN1; SMN2LMNA

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 HTT 1845/4885PTGES 708/4885MEN1 665/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 HTT 1845/4885PTGES 708/4885MEN1 665/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 HTT 1845/4885PTGES 708/4885MEN1 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.