SCHEMBL4685907

SCHEMBL4685907

CCN1C(=O)C(Nc2ccc(OC)cc2)=C(c2ccccc2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 1.00
NR1H3 Q13133 9/20 1.00
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GSK3B P49841 2/20 0.50
MAPK1 P28482 2/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
RPS6KA2 Q15349 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NSD2 O96028 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL5786361 0.93 NR1H2 (0.86) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4684921 0.89 NR1H2 (0.80) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4689082 0.88 NR1H2 (0.78) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4450601 0.87 NR1H2 (1.00) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4687894 0.86 NR1H2 (0.76) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4691707 0.86 NR1H2 (0.76) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4688172 0.85 NR1H2 (0.74) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4689452 0.84 NR1H2 (0.72) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4688716 0.84 NR1H2 (0.72) NR1H2NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL4691628 0.83 NR1H2 (0.71) 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 4 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 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.