SCHEMBL4648311

SCHEMBL4648311

COc1cc(C2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc(Cl)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 1.00
NPC1 O15118 1/20 1.00
TSHR P16473 3/20 0.79
ALDH1A1 P00352 2/20 0.62
ALOX15 P16050 2/20 0.62
MAPK1 P28482 2/20 0.62
HSD17B10 Q99714 2/20 0.62
MAPK10 P53779 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
ADORA2B P29275 4/20 0.55
PDE1C Q14123 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL4647779 0.88 TSHR (1.00) GAANPC1TSHRALDH1A1ALOX15
SCHEMBL4647258 0.87 TSHR (0.98) GAANPC1TSHRALDH1A1ALOX15
SCHEMBL13745523 0.86 GAA (0.76) GAANPC1TSHRHSD17B10L3MBTL1
SCHEMBL24494848 0.83 MEN1 (0.74) GAANPC1TSHRALDH1A1ALOX15
SCHEMBL4650224 0.82 GAA (0.70) GAANPC1TSHRALDH1A1HSD17B10
SCHEMBL4647892 0.82 GAA (0.70) GAANPC1TSHRALDH1A1HSD17B10
SCHEMBL4646787 0.82 GAA (0.77) GAANPC1TSHRALDH1A1ALOX15
SCHEMBL6406676 0.80 GAA (0.73) GAANPC1TSHRALOX15HSD17B10
SCHEMBL4744658 0.79 GAA (0.66) GAANPC1TSHRALDH1A1ALOX15
SCHEMBL4648858 0.79 GAA (0.66) GAANPC1TSHRALDH1A1ALOX15

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 168/4885TSHR 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.