SCHEMBL4649047

SCHEMBL4649047

COc1cc(C2NC(=O)N(C)C(C)=C2C(=O)OC2CCCC2)cc(Br)c1O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.69
GAA P10253 12/20 0.66
LMNA P02545 2/20 0.66
USP2 O75604 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPT P10636 1/20 0.63
NPC1 O15118 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.41
MAPK10 P53779 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
SCHEMBL4646787 0.88 GAA (0.77) TSHRGAALMNAUSP2SMN1; SMN2
SCHEMBL4649470 0.84 GAA (0.68) TSHRGAALMNAUSP2SMN1; SMN2
SCHEMBL4647258 0.83 TSHR (0.98) TSHRGAAMEN1KMT2ANPC1
SCHEMBL4647779 0.82 TSHR (1.00) TSHRGAAMEN1KMT2ANPC1
SCHEMBL4648905 0.80 GAA (0.77) TSHRGAALMNAUSP2SMN1; SMN2
SCHEMBL4648311 0.70 GAA (1.00) TSHRGAAMEN1KMT2ANPC1
SCHEMBL6404449 0.69 GAA (0.54) TSHRGAALMNAUSP2SMN1; SMN2
SCHEMBL4648732 0.69 GAA (0.78) TSHRGAALMNAUSP2SMN1; SMN2
SCHEMBL10113298 0.68 ALDH1A1 (0.65) TSHRLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4648653 0.68 GAA (0.56) TSHRGAALMNAUSP2SMN1; 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 10 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
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-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US disclosed
US-20050282208-A1 Cellular phenotype 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 TSHR 4678/4885GAA 349/4885LMNA 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.