SCHEMBL13616291

SCHEMBL13616291

[N-]=[N+]=NCCOCCN(CCOC(=O)Nc1cc2ccccc2cn1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK8 P45983 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.32
NOTUM Q6P988 1/20 0.32
EGFR P00533 2/20 0.32
ABL1 P00519 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
BCHE P06276 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ANO1 Q5XXA6 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
SCHEMBL212984 0.89 NPC1 (0.38) NPC1RAB9AMAPK8ALDH1A1MAPK1
SCHEMBL209462 0.88 ROCK2 (0.41) NPC1RAB9AMAPK8ALDH1A1MAPK1
SCHEMBL212188 0.88 NPC1 (0.36) NPC1RAB9AMAPK8ALDH1A1MAPK1
SCHEMBL210563 0.86 ALDH1A1 (0.36) NPC1RAB9AMAPK8ALDH1A1MAPK1
SCHEMBL213331 0.86 BCHE (0.37) NPC1RAB9AMAPK8ALDH1A1MAPK1
SCHEMBL2721468 0.81 SMN1; SMN2 (0.40) NPC1RAB9AMAPK8ALDH1A1MAPK1
SCHEMBL2721700 0.81 ALDH1A1 (0.36) NPC1RAB9AMAPK8ALDH1A1MAPK1
SCHEMBL13616308 0.77 CTSK (0.36) NPC1RAB9AMAPK8ALDH1A1MAPK1
SCHEMBL2881217 0.77 HTT (0.33) MAPK1NOTUMSMN1; SMN2ROCK2ROCK1
SCHEMBL2722256 0.74 CYP1A2 (0.40) NPC1RAB9AMAPK8MAPK1NOTUM

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 NPC1 4684/4885RAB9A 2065/4885MAPK8 3011/4885

“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.