SCHEMBL4648905

SCHEMBL4648905

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

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.77
TSHR P16473 4/20 0.77
USP2 O75604 2/20 0.77
LMNA P02545 2/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.49
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
ADORA2B P29275 1/20 0.43
PRNP P04156 1/20 0.42

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
SCHEMBL4649470 0.81 GAA (0.68) GAATSHRUSP2LMNASMN1; SMN2
SCHEMBL4649047 0.80 TSHR (0.69) GAATSHRUSP2LMNASMN1; SMN2
SCHEMBL6404449 0.72 GAA (0.54) GAATSHRUSP2LMNASMN1; SMN2
SCHEMBL6409849 0.71 GAA (0.52) GAATSHRUSP2LMNASMN1; SMN2
SCHEMBL4686505 0.71 GAA (0.53) GAATSHRUSP2LMNASMN1; SMN2
SCHEMBL4649112 0.70 GAA (0.78) GAATSHRUSP2LMNASMN1; SMN2
SCHEMBL4650227 0.70 GAA (0.54) GAATSHRUSP2LMNASMN1; SMN2
SCHEMBL4648653 0.70 GAA (0.56) GAATSHRUSP2LMNASMN1; SMN2
SCHEMBL6406176 0.68 GAA (0.47) GAATSHRUSP2LMNASMN1; SMN2
SCHEMBL4647903 0.68 GAA (0.76) GAATSHRKMT2AMEN1L3MBTL1

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 4678/4885USP2 4291/4885

“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.