SCHEMBL4649301

SCHEMBL4649301

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

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.70
TSHR P16473 3/20 0.66
HSD17B10 Q99714 2/20 0.64
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
ADORA2B P29275 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CREBBP Q92793 1/20 0.45

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
SCHEMBL6404869 0.90 GAA (0.56) GAATSHRHSD17B10ALDH1A1KMT2A
SCHEMBL4647903 0.90 GAA (0.76) GAATSHRHSD17B10ALDH1A1MEN1
SCHEMBL4649479 0.88 GAA (0.54) GAATSHRHSD17B10ALDH1A1HTT
SCHEMBL4744658 0.88 GAA (0.66) GAATSHRHSD17B10ALDH1A1HTT
SCHEMBL6404289 0.87 GAA (0.55) GAATSHRHSD17B10ALDH1A1HTT
SCHEMBL4647287 0.86 GAA (0.84) GAATSHRHSD17B10ALDH1A1MEN1
SCHEMBL6408711 0.86 GAA (0.76) GAATSHRHSD17B10ALDH1A1MEN1
SCHEMBL6405657 0.86 GAA (0.52) GAATSHRHSD17B10ALDH1A1MEN1
SCHEMBL6406082 0.84 GAA (0.68) GAATSHRHSD17B10ALDH1A1MEN1
SCHEMBL6409001 0.83 ADORA2B (0.53) GAATSHRHSD17B10ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US claimed
EP-1675834-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-08-27 EP disclosed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP disclosed
WO-2006031273-A2 CELLULAR PHENOTYPE CYTOKINETICS, INC. (US) 2006-03-23 WO disclosed
US-20050282208-A1 Cellular phenotype CYTOKINETICS, INC. 2005-12-22 US disclosed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US disclosed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO 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 4678/4885HSD17B10 1067/4885

“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.