SCHEMBL6938726

SCHEMBL6938726

Nc1ccccc1CN1CC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CRBN Q96SW2 4/20 0.41
DDB1 Q16531 3/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
FDPS P14324 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 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
SCHEMBL15973191 0.80 KMT2A (0.58) EPHX2SIRT2SIRT1CRBNDDB1
SCHEMBL11570834 0.80 MPO (0.49) EPHX2SIRT2SIRT1CRBNDDB1
SCHEMBL8633466 0.80 CYP1A2 (0.50) EPHX2CRBNDDB1MAPTKDM4E
SCHEMBL8128225 0.78 DAO (0.48) MAPTPOLBCYP2D6
SCHEMBL7696982 0.76 EPHX2 (0.39) EPHX2CRBNDDB1PDE4APDE4B
SCHEMBL1011633 0.75 DDB1 (0.69) EPHX2CRBNDDB1HDAC2HDAC8
SCHEMBL9850086 0.75 DDB1 (0.69) EPHX2CRBNDDB1HDAC2HDAC8
SCHEMBL9850110 0.74 DDB1 (0.67) EPHX2CRBNDDB1HDAC2HDAC8
SCHEMBL14403257 0.73 ALDH1A1 (0.67) SIRT2SIRT1CRBNDDB1MAPT
SCHEMBL8009140 0.72 EPHX2 (0.47) EPHX2CRBNDDB1HDAC2HDAC8

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
EP-0918059-B1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-06-25 EP disclosed
US-6521654-B2 For therapy and prophylaxis of rheumatoid arthritis, or of allergic disorders, asthma, inflammation; inhibitors of the adhesion and migration of leucocytes and/or antagonists of adhesion receptor VLA-4 belonging to the integrins group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-18 US disclosed
US-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-10-03 US disclosed
US-6331552-B1 THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-18 US disclosed
EP-0918059-A1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-26 EP 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-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them VCAM1, ITGA1, ITGA4 EPHX2 988/4885SIRT2 2533/4885SIRT1 2631/4885

“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.