SCHEMBL4685658

SCHEMBL4685658

Nc1ccc(CN2C(=O)C(c3ccccc3)=C(Nc3ccc(OC(F)F)cc3)C2=S)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.46
NR1H3 Q13133 8/20 0.46
NAMPT P43490 1/20 0.38
CHRM5 P08912 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TEAD4 Q15561 1/20 0.34
ROCK1 Q13464 1/20 0.34
GALR2 O43603 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
P2RX3 P56373 1/20 0.34
DAGLA Q9Y4D2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5000235 0.93 NR1H2 (0.46) NR1H2NR1H3NAMPTCHRM5MEN1
SCHEMBL4684739 0.93 NR1H2 (0.38) NR1H2NR1H3NAMPTCHRM5MEN1
SCHEMBL4684834 0.92 NR1H2 (0.55) NR1H2NR1H3NAMPTCHRM5MEN1
SCHEMBL5746701 0.80 NR1H2 (0.53) NR1H2NR1H3CHRM5MAPT
SCHEMBL4685753 0.80 NR1H2 (0.41) NR1H2NR1H3NAMPTALDH1A1MAPT
SCHEMBL4690915 0.79 NR1H2 (0.73) NR1H2NR1H3NAMPTMEN1ALDH1A1
SCHEMBL3489506 0.79 NAMPT (0.36) NR1H2NR1H3NAMPTMEN1ALDH1A1
SCHEMBL4689233 0.77 NR1H2 (0.60) NR1H2NR1H3NAMPTGSK3AGSK3B
SCHEMBL5613790 0.75 P2RX3 (0.35) MEN1ALDH1A1MAPTKMT2ATEAD4
SCHEMBL4684030 0.73 NR1H2 (0.80) NR1H2NR1H3MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646625-B1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP claimed
US-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-08-24 US claimed
EP-1646625-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP claimed
WO-2005005416-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 WO claimed
EP-1646625-B1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1646625-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP disclosed
WO-2005005416-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 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-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885NAMPT 2384/4885

“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.