SCHEMBL645835

SCHEMBL645835

CC(C)C(c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1)N(CCCN)C(=O)c1ccco1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.79
KCNH2 Q12809 2/20 0.79
MAP1LC3B Q9GZQ8 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 1/20 0.35
TTR P02766 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
KIF23 Q02241 1/20 0.34
ACP1 P24666 2/20 0.33
BRD4 O60885 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HSD17B3 P37058 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL646152 0.91 KIF11 (0.65) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL29377772 0.88 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL645543 0.88 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645244 0.88 KIF11 (0.88) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL647316 0.88 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL10192127 0.88 KIF11 (0.77) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1680111 0.88 KIF11 (0.75) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL644065 0.88 KIF11 (0.98) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL16354067 0.88 KIF11 (0.98) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL649759 0.88 KIF11 (0.98) 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.