SCHEMBL4688047

SCHEMBL4688047

O=C1C(Nc2ccccc2)=C(c2ccccc2)C(=O)N1Cc1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.76
NR1H3 Q13133 7/20 0.76
KDM4E B2RXH2 2/20 0.48
UBE2N P61088 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.45
NAMPT P43490 2/20 0.44
LTA4H P09960 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CCR6 P51684 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL5745530 0.90 NR1H2 (0.78) NR1H2NR1H3KDM4EALDH1A1LMNA
SCHEMBL4688066 0.89 NR1H2 (0.80) NR1H2NR1H3ALDH1A1LMNAMEN1
SCHEMBL4689233 0.86 NR1H2 (0.60) NR1H2NR1H3KDM4EUBE2NATM
SCHEMBL4692995 0.86 NR1H2 (0.60) NR1H2NR1H3RAB9A
SCHEMBL4691823 0.85 NR1H2 (0.56) NR1H2NR1H3KDM4EALDH1A1NAMPT
SCHEMBL5750387 0.82 NR1H2 (0.51) NR1H2NR1H3KDM4EALDH1A1NAMPT
SCHEMBL4688137 0.81 KDM4E (0.51) NR1H2NR1H3KDM4EUBE2NATM
SCHEMBL4688361 0.80 NR1H2 (0.66) NR1H2NR1H3ALDH1A1LMNAMEN1
SCHEMBL4692187 0.79 NR1H2 (0.47) NR1H2NR1H3KDM4EALDH1A1NAMPT
SCHEMBL9142852 0.77 ALDH1A1 (0.62) KDM4EUBE2NATMALDH1A1NAMPT

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 2/4885KDM4E 3260/4885

“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.