SCHEMBL13616308

SCHEMBL13616308

CN(C(=O)NCc1ccccc1Cl)[C@@H](CCCCN=[N+]=[N-])COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.32
NOTUM Q6P988 1/20 0.32
HTT P42858 2/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
MAPK8 P45983 2/20 0.31
ANO1 Q5XXA6 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL2758651 0.91 CTSK (0.37) CTSKALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL2721780 0.89 CTSK (0.39) CTSKALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL211840 0.89 CTSK (0.39) CTSKALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL211353 0.89 CTSK (0.39) CTSKALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL2721705 0.89 CTSK (0.40) CTSKALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL4353514 0.88 CTSK (0.39) CTSKALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL2723918 0.88 CTSK (0.39) CTSKALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL211468 0.87 CTSK (0.37) CTSKALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL209768 0.87 CTSK (0.38) CTSKALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL212342 0.87 CTSK (0.39) CTSKALDH1A1NPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 CTSK 1455/4885ALDH1A1 1710/4885NPC1 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.