SCHEMBL4648623

SCHEMBL4648623

COc1cc(C2NC(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC(C)(C)C)cc(Br)c1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.63
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 5/20 0.56
LMNA P02545 4/20 0.56
TRPC5 Q9UL62 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL4648653 0.83 GAA (0.56) GAATDP1ALDH1A1LMNAMEN1
SCHEMBL4649470 0.82 GAA (0.68) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL6404449 0.77 GAA (0.54) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL14825202 0.77 ALDH1A1 (0.76) TDP1ALDH1A1LMNATRPC5CYP3A4
SCHEMBL6409849 0.75 GAA (0.52) GAATDP1ALDH1A1LMNAMEN1
SCHEMBL6408711 0.75 GAA (0.76) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL14625042 0.73 ALDH1A1 (1.00) GAATDP1ALDH1A1LMNATRPC5
SCHEMBL4686505 0.72 GAA (0.53) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL4646413 0.71 GAA (0.52) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL6406182 0.70 GAA (0.49) GAAALDH1A1LMNAMEN1KMT2A

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 349/4885TDP1 1074/4885ALDH1A1 1008/4885

“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.