SCHEMBL4687950

SCHEMBL4687950

COc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccn3)C2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.72
NR1H3 Q13133 9/20 0.72
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GSK3B P49841 1/20 0.43
METAP2 P50579 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL5747584 0.92 NR1H2 (0.61) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL4450601 0.84 NR1H2 (1.00) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL4686588 0.83 NR1H2 (0.85) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL4685907 0.81 NR1H2 (1.00) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL4691241 0.81 NR1H2 (0.67) NR1H2NR1H3MEN1KMT2ANPC1
SCHEMBL4688066 0.81 NR1H2 (0.80) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL5745530 0.80 NR1H2 (0.78) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL4690915 0.79 NR1H2 (0.73) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL4691707 0.78 NR1H2 (0.76) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL4687894 0.78 NR1H2 (0.76) NR1H2NR1H3MEN1KMT2AALDH1A1

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
US-7432288-B2 Pyrrole-2,5-dione derivatives as Liver X receptor modulators ASTRAZENECA AB (SE) 2008-10-07 US claimed
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP claimed
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-10-19 US claimed
US-7432288-B2 Pyrrole-2,5-dione derivatives as Liver X receptor modulators ASTRAZENECA AB (SE) 2008-10-07 US disclosed
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-10-19 US disclosed
EP-1646626-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP disclosed
WO-2005005417-A1 PYRROLE-2, 5-DIONE 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-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators NR1H2, NR1H3, SREBF2 NR1H2 1/4885NR1H3 2/4885MEN1 4511/4885

“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.