SCHEMBL4648036

SCHEMBL4648036

CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(Br)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.77
MAPK1 P28482 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
TSHR P16473 3/20 0.71
RAB9A P51151 1/20 0.71
HSD17B10 Q99714 3/20 0.68
ALOX15 P16050 1/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
PDE1C Q14123 1/20 0.63
KIF11 P52732 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61

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
SCHEMBL10112909 0.90 TSHR (0.82) GAAMAPK1SMN1; SMN2TSHRRAB9A
SCHEMBL26671670 0.88 GAA (0.63) GAAMAPK1SMN1; SMN2TSHRRAB9A
SCHEMBL29794042 0.88 GAA (0.63) GAAMAPK1SMN1; SMN2TSHRRAB9A
SCHEMBL15976549 0.85 GAA (0.77) GAAMAPK1SMN1; SMN2TSHRRAB9A
SCHEMBL4646724 0.85 GAA (0.71) GAAMAPK1SMN1; SMN2TSHRRAB9A
SCHEMBL26671728 0.85 GAA (0.59) GAAMAPK1SMN1; SMN2TSHRRAB9A
SCHEMBL29794024 0.85 GAA (0.59) GAAMAPK1SMN1; SMN2TSHRRAB9A
SCHEMBL26671643 0.83 TSHR (0.75) GAAMAPK1SMN1; SMN2TSHRRAB9A
SCHEMBL28490632 0.82 HSD17B10 (0.73) GAAMAPK1HSD17B10CASP1ALDH1A1
SCHEMBL29793947 0.82 GAA (0.55) GAAMAPK1SMN1; SMN2TSHRRAB9A

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 349/4885MAPK1 3498/4885SMN1; SMN2 1251/4885

“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.