SCHEMBL4694322

SCHEMBL4694322

O=C1C(Cl)=C(c2ccccc2)C(=O)N1Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
PKM P14618 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP1B1 Q16678 1/20 0.48
LMNA P02545 1/20 0.46
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
HSD17B10 Q99714 1/20 0.42
CCR9 P51686 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAD51 Q06609 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL8314773 0.86 ALDH1A1 (0.72) ALDH1A1PKMMEN1KMT2ACYP1B1
SCHEMBL6431729 0.77 NR1H2 (0.51) ALDH1A1MEN1KMT2ACYP1B1LMNA
SCHEMBL6426236 0.75 MAPT (0.46) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL4688137 0.75 KDM4E (0.51) ALDH1A1PKMMEN1KMT2ACYP1B1
SCHEMBL30711693 0.75 ALDH1A1 (1.00) ALDH1A1PKMMEN1KMT2ACYP1B1
SCHEMBL2959641 0.75 ALDH1A1 (1.00) ALDH1A1PKMMEN1KMT2ACYP1B1
SCHEMBL6427000 0.74 NR1H2 (0.60) ALDH1A1MEN1KMT2ALMNANR1H2
SCHEMBL4685918 0.73 NR1H2 (0.60) ALDH1A1CYP1B1LMNANR1H2NR1H3
SCHEMBL6466541 0.73 L3MBTL1 (0.51) ALDH1A1MEN1KMT2ACYP1B1LMNA
SCHEMBL4687950 0.72 NR1H2 (0.72) ALDH1A1PKMMEN1KMT2ANR1H2

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 5 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
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 ALDH1A1 3161/4885PKM 555/4885MEN1 4511/4885

“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.