SCHEMBL6938737

SCHEMBL6938737

NN1C(=O)CN(Cc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.53
HDAC6 Q9UBN7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
ELANE P08246 1/20 0.47
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
CTRC Q99895 1/20 0.47
KMT2A Q03164 8/20 0.46
POLB P06746 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 6/20 0.46
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL4494418 0.83 POLB (0.56) L3MBTL1F2PLGELANECTSG
SCHEMBL1488276 0.81 L3MBTL1 (0.56) ENPP2HDAC6L3MBTL1F2PLG
SCHEMBL4955033 0.80 HDAC6 (0.69) ENPP2HDAC6L3MBTL1F2PLG
SCHEMBL7212064 0.79 ENPP2 (0.53) ENPP2HDAC6L3MBTL1F2PLG
SCHEMBL11570842 0.79 ENPP2 (0.53) ENPP2HDAC6L3MBTL1F2PLG
SCHEMBL7212061 0.79 ENPP2 (0.53) ENPP2HDAC6L3MBTL1F2PLG
SCHEMBL3631293 0.76 HDAC6 (0.53) ENPP2HDAC6L3MBTL1F2PLG
SCHEMBL19923534 0.75 ENPP2 (0.49) ENPP2HDAC6L3MBTL1F2PLG
SCHEMBL15458750 0.75 ENPP2 (0.49) ENPP2HDAC6L3MBTL1F2PLG
SCHEMBL4872435 0.74 KMT2A (0.52) ENPP2HDAC6L3MBTL1F2PLG

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 ENPP2 353/4885HDAC6 1479/4885L3MBTL1 3857/4885

“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.