SCHEMBL4649470

SCHEMBL4649470

COc1cc(C2NC(=O)N(C)C(C)=C2C(=O)OC(C)(C)C)cc(Br)c1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.68
TSHR P16473 3/20 0.68
LMNA P02545 2/20 0.68
USP2 O75604 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
MAPT P10636 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.43
CREBBP Q92793 1/20 0.41

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
SCHEMBL4649047 0.84 TSHR (0.69) GAATSHRLMNAUSP2SMN1; SMN2
SCHEMBL4648653 0.83 GAA (0.56) GAATSHRLMNAUSP2SMN1; SMN2
SCHEMBL4648623 0.82 GAA (0.63) GAATSHRLMNAUSP2SMN1; SMN2
SCHEMBL6408711 0.82 GAA (0.76) GAATSHRLMNAUSP2SMN1; SMN2
SCHEMBL4648905 0.81 GAA (0.77) GAATSHRLMNAUSP2SMN1; SMN2
SCHEMBL4649116 0.81 GAA (0.48) GAATSHRLMNAUSP2SMN1; SMN2
SCHEMBL6404449 0.76 GAA (0.54) GAATSHRLMNAUSP2SMN1; SMN2
SCHEMBL4646857 0.73 CREBBP (0.65) GAATSHRLMNAMEN1KMT2A
SCHEMBL6409849 0.73 GAA (0.52) GAATSHRLMNAUSP2SMN1; SMN2
SCHEMBL4646787 0.71 GAA (0.77) GAATSHRLMNAUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675834-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-08-27 EP claimed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US claimed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 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-20050282838-A1 Compounds, compositions, and methods PCNA, MKI67, TP53 GAA 349/4885TSHR 4678/4885LMNA 233/4885

“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.