SCHEMBL3243944

SCHEMBL3243944

Cc1cc(N)c2cc(C(=O)Nc3ccc(CNc4cc(C)[n+](C)c(N)n4)cc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.46
MMP1 P03956 2/20 0.46
GNG2 P59768 2/20 0.46
GNB1 P62873 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRL1 P41146 3/20 0.45
MAPT P10636 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL3233220 0.95 MMP9 (0.51) MMP9MMP1GNG2GNB1MEN1
SCHEMBL3239682 0.88 DNMT1 (0.53) MMP9MMP1GNG2GNB1MEN1
SCHEMBL3241944 0.86 DNMT1 (0.55) MMP9MMP1GNG2GNB1MEN1
SCHEMBL3245888 0.82 MMP9 (0.49) MMP9MMP1GNG2GNB1MEN1
SCHEMBL5558113 0.81 CD38 (0.44) OPRL1MAPTOPRM1OPRD1OPRK1
SCHEMBL5354568 0.80 MMP9 (0.68) MMP9MMP1GNG2GNB1MEN1
SCHEMBL5558076 0.80 HDAC1 (0.52) MEN1KMT2AHDAC6
SCHEMBL3236207 0.80 OPRL1 (0.60) MMP9MMP1GNG2GNB1MEN1
SCHEMBL3239601 0.79 MMP9 (0.54) MMP9MMP1GNG2GNB1MEN1
SCHEMBL3237103 0.77 MMP9 (0.64) MMP9MMP1GNG2GNB1MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745443-B2 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-29 US claimed
US-20070173489-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-26 US claimed
EP-1509516-B1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-31 EP claimed
EP-1509516-A1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE Aventis Pharma Deutschland GmbH (DE) 2005-03-02 EP claimed
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-04-08 US claimed
WO-2003104221-A1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-18 WO claimed
US-7745443-B2 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-29 US disclosed
US-20070173489-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-26 US disclosed
US-7235558-B2 Inhibitors of the GPIb—vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
EP-1509516-B1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-31 EP disclosed
EP-1509516-A1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE Aventis Pharma Deutschland GmbH (DE) 2005-03-02 EP disclosed
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-04-08 US disclosed
WO-2003104221-A1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-18 WO disclosed
EP-1369420-A1 Inhibitors of the GPib - vWF interaction Aventis Pharma Deutschland GmbH (DE) 2003-12-10 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 (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-20070173489-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 MMP9 872/4885MMP1 3903/4885GNG2 1310/4885
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 MMP9 946/4885MMP1 3036/4885GNG2 1285/4885

“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.