SCHEMBL4687129

SCHEMBL4687129

O=C1OC(=O)C(c2ccccc2)=C1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NTSR1 P30989 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTRC Q99895 2/20 0.39
PDE4B Q07343 1/20 0.39
ALOX15 P16050 1/20 0.39
RAD51 Q06609 1/20 0.39
HSP90AA1 P07900 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.36

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
Maleic Anhydride SCHEMBL27657954 0.90 PTGS2 (0.43) PTGS2KMT2ATDP1MEN1LMNA
SCHEMBL6675332 0.84 MEN1 (0.43) PTGS2KMT2AMEN1HPGDALOX15
SCHEMBL592300 0.83 PTGS2 (0.65) PTGS2KMT2ATDP1MEN1LMNA
SCHEMBL11595368 0.82 PTGS2 (0.51) PTGS2KMT2ATDP1MEN1LMNA
SCHEMBL10736364 0.80 PTGS2 (0.69) PTGS2KMT2ATDP1MEN1LMNA
SCHEMBL13417405 0.73 CYP2D6 (0.60) KMT2ATDP1LMNAMAPTHTT
SCHEMBL28841575 0.73 IDO1 (0.52) KMT2ATDP1MEN1LMNAMAPT
SCHEMBL10684202 0.73 PTGS2 (0.55) PTGS2KMT2ATDP1MEN1LMNA
SCHEMBL6674116 0.73 PTGS2 (0.55) PTGS2KMT2ATDP1MEN1LMNA
SCHEMBL28179293 0.73 PTGS2 (0.50) PTGS2KMT2ATDP1MEN1LMNA

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 16 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-2005005416-A1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 WO disclosed
WO-2005005417-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 WO disclosed
EP-1257172-B1 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AG (DE) 2004-10-13 EP disclosed
US-6680283-B1 TREATMENT OF PLANTS, AND ALSO FOR THE THERAPEUTIC TREATMENT OF HUMAN DISORDERS CAUSED BY HARMFUL FUNGI, AND FOR THE VETERINARY TREATMENT OF MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-6586369-B1 Agriculture BASF AKTIENGESELLSCHAFT (DE) 2003-07-01 US disclosed
EP-1257172-A2 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-11-20 EP disclosed
WO-2001062087-A2 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-08-30 WO disclosed
US-4075167-A MALEIMIDO GROUP-CONTAINING ORGANOSILICON COMPOUNDS DAI NIPPON PRINTING CO., LTD. (JA) 1978-02-21 US disclosed
US-4019904-A INK REPELLENT DAI NIPPON PRINTING COMPANY LIMITED (JA) 1977-04-26 US 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 PTGS2 155/4885KMT2A 3937/4885TDP1 3883/4885
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators NR1H2, NR1H3, SREBF2 PTGS2 128/4885KMT2A 3674/4885TDP1 3858/4885

“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.