SCHEMBL4648919

SCHEMBL4648919

COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CREBBP Q92793 1/20 0.56
GAA P10253 6/20 0.54
TSHR P16473 2/20 0.52
HTT P42858 1/20 0.52
ADORA2B P29275 1/20 0.51
NPC1 O15118 1/20 0.51
ADH5 P11766 1/20 0.45
TACR3 P29371 1/20 0.45

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 0.89 CREBBP (0.65) L3MBTL1ALDH1A1MEN1KMT2ACREBBP
SCHEMBL6408458 0.86 CREBBP (0.62) L3MBTL1ALDH1A1MEN1KMT2ACREBBP
SCHEMBL4647892 0.84 GAA (0.70) L3MBTL1ALDH1A1MEN1KMT2ACREBBP
SCHEMBL6406197 0.84 CREBBP (0.62) L3MBTL1ALDH1A1MEN1KMT2ACREBBP
SCHEMBL6408711 0.84 GAA (0.76) L3MBTL1ALDH1A1MEN1KMT2ACREBBP
SCHEMBL6407139 0.79 GAA (0.73) L3MBTL1ALDH1A1MEN1KMT2ACREBBP
SCHEMBL4649176 0.77 ADORA2B (0.61) ALDH1A1MEN1KMT2ACREBBPGAA
SCHEMBL4647187 0.76 CREBBP (0.69) L3MBTL1ALDH1A1MEN1KMT2ACREBBP
SCHEMBL13753875 0.74 GAA (0.64) L3MBTL1KMT2AGAATSHRHTT
SCHEMBL6405100 0.73 GAA (0.73) L3MBTL1ALDH1A1MEN1KMT2ACREBBP

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 L3MBTL1 4207/4885ALDH1A1 1008/4885MEN1 708/4885

“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.