SCHEMBL5199140

SCHEMBL5199140

CC1=C(C(=O)O)C(c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 9/20 0.71
KDM4E B2RXH2 10/20 0.52
GAA P10253 8/20 0.52
ALDH1A1 P00352 8/20 0.52
HPGD P15428 7/20 0.52
FFAR3 O14843 1/20 0.52
GLA P06280 2/20 0.51
CASP1 P29466 3/20 0.49
HSD17B10 Q99714 3/20 0.49
CASP7 P55210 2/20 0.49
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.48

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
SCHEMBL1356628 0.89 NOTCH1 (0.76) NOTCH1KDM4EGAAALDH1A1HPGD
SCHEMBL13461463 0.87 KDM4E (0.61) NOTCH1KDM4EGAAALDH1A1HPGD
SCHEMBL3320306 0.84 NOTCH1 (0.72) NOTCH1KDM4EGAAALDH1A1HPGD
SCHEMBL3322525 0.83 NOTCH1 (1.00) NOTCH1KDM4EGAAALDH1A1HPGD
SCHEMBL15756118 0.80 KDM4E (0.61) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL7764271 0.79 HTT (0.62) NOTCH1KDM4EGAAALDH1A1HPGD
SCHEMBL3009364 0.79 KDM4E (0.68) NOTCH1KDM4EGAAALDH1A1HPGD
SCHEMBL27517413 0.78 CACNA1B (0.65)
SCHEMBL742561 0.78 GAA (0.57) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL5222988 0.77 GSK3B (0.58) KDM4EGAAALDH1A1HPGDGLA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814554-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-08-08 EP claimed
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US claimed
WO-2006047537-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2006-05-04 WO claimed
EP-1814554-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-08-08 EP disclosed
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US disclosed
WO-2006047537-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2006-05-04 WO 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-20060116369-A1 Certain compounds, compositions, and methods PCNA, MKI67, TP53 NOTCH1 823/4885KDM4E 4051/4885GAA 267/4885

“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.