SCHEMBL644183

SCHEMBL644183

CC(C)C(c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1)N(CCCN)C(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.79
KCNH2 Q12809 2/20 0.79
MAP1LC3B Q9GZQ8 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK8 P45983 1/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KIF23 Q02241 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
TTR P02766 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 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
SCHEMBL645292 0.96 KIF11 (0.79) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL645543 0.88 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL29377772 0.88 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645244 0.88 KIF11 (0.88) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL647316 0.88 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL649759 0.88 KIF11 (0.98) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL16354067 0.88 KIF11 (0.98) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL644065 0.88 KIF11 (0.98) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645338 0.87 KIF11 (0.66) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644773 0.87 KIF11 (0.65) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119678-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-02-21 US disclosed
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2011-09-22 US disclosed
US-7919524-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-04-05 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-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAP1LC3B 1516/4885

“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.