SCHEMBL6938729

SCHEMBL6938729

NC1(Cc2ccccc2)NC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.47
MMP2 P08253 5/20 0.47
MMP8 P22894 5/20 0.47
MMP13 P45452 5/20 0.47
CYP3A4 P08684 2/20 0.47
ADAM17 P78536 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
CACNA1F O60840 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
SCN1A P35498 1/20 0.44
SCN4A P35499 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
CACNA1D Q01668 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 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
SCHEMBL4174555 0.77 CYP3A4 (0.49) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL11570838 0.74 CYP3A4 (0.47) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL15972776 0.74 ALDH1A1 (0.60) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL7097777 0.74 ALDH1A1 (0.60) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL5448618 0.74 MMP9 (0.64) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL5180824 0.73 ADAM17 (0.79) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL4852554 0.71 CYP3A4 (0.44) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL9402123 0.70 CYP3A4 (0.43) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL16865403 0.69 MMP9 (0.50) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL7475063 0.69 MMP9 (0.50) MMP9MMP2MMP8MMP13CYP3A4

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 MMP9 395/4885MMP2 493/4885MMP8 283/4885

“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.