SCHEMBL4647892

SCHEMBL4647892

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.70
NPC1 O15118 1/20 0.70
CREBBP Q92793 1/20 0.60
TSHR P16473 4/20 0.56
HTT P42858 1/20 0.56
ADORA2B P29275 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL4646857 0.92 CREBBP (0.65) GAANPC1CREBBPTSHRHTT
SCHEMBL4649176 0.91 ADORA2B (0.61) GAANPC1CREBBPTSHRHTT
SCHEMBL6408458 0.89 CREBBP (0.62) GAANPC1CREBBPTSHRHTT
SCHEMBL13745523 0.89 GAA (0.76) GAANPC1TSHRHTTL3MBTL1
SCHEMBL6408711 0.87 GAA (0.76) GAANPC1CREBBPTSHRHTT
SCHEMBL6406197 0.87 CREBBP (0.62) GAANPC1CREBBPTSHRHTT
SCHEMBL4744658 0.86 GAA (0.66) GAANPC1TSHRHTTADORA2B
SCHEMBL4650224 0.85 GAA (0.70) GAANPC1TSHRHTTADORA2B
SCHEMBL4648919 0.84 L3MBTL1 (0.59) GAANPC1CREBBPTSHRHTT
SCHEMBL6407139 0.83 GAA (0.73) GAACREBBPTSHRHTTADORA2B

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 349/4885NPC1 168/4885CREBBP 979/4885

“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.