SCHEMBL4688137

SCHEMBL4688137

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
UBE2N P61088 1/20 0.51
ATM Q13315 1/20 0.51
NR1H2 P55055 2/20 0.50
NR1H3 Q13133 2/20 0.50
CYP1B1 Q16678 1/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.46
DHPS P49366 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
P2RX7 Q99572 1/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL6466541 0.93 L3MBTL1 (0.51) KDM4EUBE2NATMNR1H2NR1H3
SCHEMBL6431729 0.86 NR1H2 (0.51) KDM4ENR1H2NR1H3CYP1B1LMNA
SCHEMBL4688047 0.81 NR1H2 (0.76) KDM4EUBE2NATMNR1H2NR1H3
SCHEMBL6427000 0.77 NR1H2 (0.60) KDM4ENR1H2NR1H3LMNAL3MBTL1
SCHEMBL15437828 0.77 NR1H2 (0.70) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL45682 0.76 KDM4E (0.75) KDM4EUBE2NATMCYP1B1LMNA
SCHEMBL6427487 0.75 DHPS (0.46) KDM4EUBE2NATMNR1H2NR1H3
SCHEMBL4694322 0.75 ALDH1A1 (0.59) KDM4ENR1H2NR1H3CYP1B1LMNA
SCHEMBL4685900 0.74 NR1H2 (0.43) NR1H2NR1H3LMNAL3MBTL1MEN1
SCHEMBL4693182 0.74 NR1H2 (0.48) KDM4ENR1H2NR1H3LMNAL3MBTL1

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-1646625-B1 PYRROLE-2, 5-DITHIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP 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
US-20060189663-A1 Pyrrole-2,5-dithione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1646626-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP disclosed
EP-1646625-A1 PYRROLE-2, 5-DITHIONE 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

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 KDM4E 3297/4885UBE2N 3276/4885ATM 1889/4885
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators NR1H2, NR1H3, SREBF2 KDM4E 3260/4885UBE2N 2628/4885ATM 2237/4885

“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.