SCHEMBL4647258

SCHEMBL4647258

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

nearest known ligand 0.98

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.98
GAA P10253 7/20 0.77
NPC1 O15118 1/20 0.77
HSD17B10 Q99714 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPK10 P53779 2/20 0.61
ALOX15 P16050 2/20 0.61
MAPK1 P28482 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ADORA2B P29275 4/20 0.56
PKM P14618 1/20 0.55
HTT P42858 1/20 0.54

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 0.99 TSHR (1.00) TSHRGAANPC1HSD17B10ALDH1A1
SCHEMBL4648311 0.87 GAA (1.00) TSHRGAANPC1HSD17B10ALDH1A1
SCHEMBL4648732 0.85 GAA (0.78) TSHRGAANPC1HSD17B10ALDH1A1
SCHEMBL6408711 0.83 GAA (0.76) TSHRGAANPC1HSD17B10ALDH1A1
SCHEMBL4647903 0.83 GAA (0.76) TSHRGAANPC1HSD17B10ALDH1A1
SCHEMBL4649047 0.83 TSHR (0.69) TSHRGAANPC1ALDH1A1MAPK10
SCHEMBL24494848 0.82 MEN1 (0.74) TSHRGAANPC1HSD17B10ALDH1A1
SCHEMBL10113717 0.81 ALDH1A1 (0.69) TSHRGAANPC1HSD17B10ALDH1A1
SCHEMBL4649301 0.80 GAA (0.70) TSHRGAANPC1HSD17B10ALDH1A1
SCHEMBL4647287 0.80 GAA (0.84) TSHRGAANPC1HSD17B10ALDH1A1

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 TSHR 4678/4885GAA 349/4885NPC1 168/4885

“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.