SCHEMBL4684032

SCHEMBL4684032

COc1ccc(NC2=C(c3ccccc3)C(=S)N(Cc3ccncc3)C2=S)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.59
NR1H3 Q13133 6/20 0.59
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA9 Q16790 1/20 0.41
GSK3B P49841 1/20 0.40
CXCR2 P25025 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL4684768 0.92 NR1H2 (0.69) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4685240 0.92 NR1H2 (0.69) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4684836 0.89 NR1H2 (0.56) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4686588 0.83 NR1H2 (0.85) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4684030 0.83 NR1H2 (0.80) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4688262 0.83 NR1H2 (0.67) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4688361 0.81 NR1H2 (0.66) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4685228 0.80 NR1H2 (0.54) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4684728 0.79 NR1H2 (0.53) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4684894 0.79 NR1H2 (0.56) NR1H2NR1H3MAPTSMN1; SMN2MEN1

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 2/4885MAPT 2045/4885

“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.