SCHEMBL4692995

SCHEMBL4692995

O=C1C(Nc2ccc(OC(F)(F)F)cc2)=C(c2ccccc2)C(=O)N1Cc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.60
NR1H3 Q13133 7/20 0.60
ABL1 P00519 4/20 0.49
BCR P11274 3/20 0.49
CHRM5 P08912 3/20 0.47
PLK1 P53350 1/20 0.44
OPRM1 P35372 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL4688066 0.87 NR1H2 (0.80) NR1H2NR1H3CYP3A4CYP2C9CYP2C19
SCHEMBL4688047 0.86 NR1H2 (0.76) NR1H2NR1H3RAB9A
SCHEMBL4689233 0.86 NR1H2 (0.60) NR1H2NR1H3CYP3A4CYP2C9CYP2C19
SCHEMBL5745530 0.86 NR1H2 (0.78) NR1H2NR1H3
SCHEMBL4689739 0.80 NR1H2 (0.57) NR1H2NR1H3CHRM5PLK1NPC1
SCHEMBL4688361 0.78 NR1H2 (0.66) NR1H2NR1H3CYP3A4CYP2C9CYP2C19
SCHEMBL4691823 0.78 NR1H2 (0.56) NR1H2NR1H3ABL1
SCHEMBL5745684 0.78 NR1H2 (0.58) NR1H2NR1H3ABL1BCRCHRM5
SCHEMBL4450601 0.75 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4686588 0.75 NR1H2 (0.85) NR1H2NR1H3

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 2/4885ABL1 4839/4885

“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.