SCHEMBL4648653

SCHEMBL4648653

CCOC(=O)CN1C(=O)NC(c2cc(Br)c(O)c(OC)c2)C(C(=O)OC(C)(C)C)=C1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.56
LMNA P02545 3/20 0.56
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
USP2 O75604 1/20 0.56
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 4/20 0.50
HTT P42858 1/20 0.50
PKM P14618 1/20 0.49
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4686505 0.88 GAA (0.53) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4648623 0.83 GAA (0.63) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4649470 0.83 GAA (0.68) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4688643 0.80 ALDH1A1 (0.49) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL6404449 0.79 GAA (0.54) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4743559 0.79 SMN1; SMN2 (0.56) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL6409604 0.79 ALDH1A1 (0.49) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL6409849 0.78 GAA (0.52) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL6406182 0.77 GAA (0.49) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4646413 0.77 GAA (0.52) GAALMNATSHRSMN1; SMN2USP2

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 6 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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US disclosed
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 (2 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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D GAA 4739/4885LMNA 3831/4885TSHR 119/4885
US-20050282838-A1 Compounds, compositions, and methods PCNA, MKI67, TP53 GAA 349/4885LMNA 233/4885TSHR 4678/4885

“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.