SCHEMBL3243486

SCHEMBL3243486

Cc1cc(N)c2cc(C(=O)NC3CCC(N)CC3)ccc2n1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 11/20 0.68
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50
MAPK14 Q16539 1/20 0.49
MEN1 O00255 1/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
ALOX15 P16050 1/20 0.49
BLM P54132 1/20 0.49
GNG2 P59768 1/20 0.49
GNB1 P62873 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL3241675 0.87 SMYD3 (0.52) SMYD3MAPK14MEN1MMP1MMP9
SCHEMBL3245686 0.85 LMNA (0.68) SMYD3MAPK14MEN1KMT2A
SCHEMBL3238605 0.85 SMYD3 (0.50) SMYD3MAPK14MEN1MMP1MMP9
SCHEMBL21490192 0.81 SMYD3 (1.00) SMYD3
SCHEMBL19701311 0.81 SMYD3 (1.00) SMYD3
SCHEMBL3238508 0.78 GNG2 (0.61) MEN1MMP1MMP9ALOX15BLM
SCHEMBL5553485 0.77 HPGDS (0.43) SMYD3MAPK14
Hydrochloric Acid SCHEMBL31428470 0.77 GNG2 (0.60) MEN1MMP1MMP9ALOX15BLM
SCHEMBL5354568 0.76 MMP9 (0.68) MEN1MMP1MMP9ALOX15BLM
SCHEMBL5553413 0.76 LMNA (0.58) SMYD3MEN1KMT2A

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 8 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 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 SMYD3 4255/4885F2 9/4885F10 18/4885
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 SMYD3 4362/4885F2 7/4885F10 17/4885

“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.