SCHEMBL5004491

SCHEMBL5004491

C#Cc1cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)nc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 5/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRA3 P34903 1/20 0.34
GABRA4 P48169 1/20 0.34
NR1H3 Q13133 1/20 0.33
GSTO1 P78417 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
ABCB1 P08183 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL2770189 0.84 GLRA3 (0.34) NR1D1ALDH1A1
SCHEMBL5004256 0.83 GABRA5 (0.37) NR1D1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10367811 0.81 NR1D1 (0.36) NR1D1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5007664 0.81 NR1D1 (0.36) NR1D1NR1H3GSTO1ALDH1A1GLA
SCHEMBL10367552 0.80 ACACB (0.37) NR1D1GABRA1GABRG2GABRB3GABRA2
SCHEMBL18979341 0.77 NR1D1 (0.35) NR1D1NR1H3GSTO1
SCHEMBL17200937 0.77 NR1D1 (0.35) NR1D1NR1H3GSTO1
SCHEMBL15618181 0.76 ACACB (0.35) NR1D1GABRA1GABRG2GABRB3GABRA2
SCHEMBL17200916 0.76 ACACB (0.35) NR1D1GABRA1GABRG2GABRB3GABRA2
SCHEMBL26885902 0.76 NR1D1 (0.33) NR1D1NR1H3GSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305049-A1 Mri Contrast Agents for Diagnosis and Prognosis of Tumors YEDA RESEARCH AND DEVELOPMENT CO. LTD. AT THE WEIZMANN INSTITUTE OF SCIENCE (IL) 2008-12-11 US disclosed
EP-1848466-A2 MRI CONTRAST AGENTS FOR DIAGNOSIS AND PROGNOSIS OF TUMORS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-10-31 EP disclosed
WO-2006080022-A2 MRI CONTRAST AGENTS FOR DIAGNOSIS AND PROGNOSIS OF TUMORS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-08-03 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-20080305049-A1 Mri Contrast Agents for Diagnosis and Prognosis of Tumors TFRC, FOLR1, CD14 NR1D1 1804/4885GABRA1 122/4885GABRG2 72/4885

“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.