SCHEMBL4685696

SCHEMBL4685696

COCCN1C(=O)C(Cl)=C(c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RAD51 Q06609 1/20 0.41
NR1H2 P55055 6/20 0.41
NR1H3 Q13133 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
LCK P06239 1/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE4B Q07343 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.38
PABPC1 P11940 1/20 0.37

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
SCHEMBL4688655 0.91 MEN1 (0.44) ALDH1A1RAD51NR1H2NR1H3SMN1; SMN2
SCHEMBL5790936 0.84 NR1H2 (0.67) ALDH1A1NR1H2NR1H3SMN1; SMN2MAPT
SCHEMBL5746128 0.81 NR1H2 (0.51) ALDH1A1NR1H2NR1H3SMN1; SMN2MAPT
SCHEMBL4685924 0.80 NPC1 (0.46) ALDH1A1RAD51NR1H2NR1H3SMN1; SMN2
SCHEMBL4685918 0.79 NR1H2 (0.60) ALDH1A1RAD51NR1H2NR1H3MAPT
SCHEMBL4692961 0.79 RAD51 (0.41) ALDH1A1RAD51NR1H2NR1H3SMN1; SMN2
SCHEMBL5748763 0.77 NR1H2 (0.65) ALDH1A1NR1H2NR1H3SMN1; SMN2MAPT
SCHEMBL4687894 0.73 NR1H2 (0.76) ALDH1A1NR1H2NR1H3SMN1; SMN2MAPT
SCHEMBL3642366 0.73 RAB9A (0.65) ALDH1A1SMN1; SMN2MAPTRAB9ATDP1
SCHEMBL15451446 0.73 NR1H2 (0.56) RAD51NR1H2NR1H3PDE4BHPGD

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 9 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 disclosed
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
EP-1646625-B1 PYRROLE-2, 5-DITHIONE 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
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
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
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 (2 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 ALDH1A1 3164/4885RAD51 4646/4885NR1H2 1/4885
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators NR1H2, NR1H3, SREBF2 ALDH1A1 3161/4885RAD51 4519/4885NR1H2 1/4885

“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.