SCHEMBL3240191

SCHEMBL3240191

Cc1cc(N)c2cc(C(=O)Nc3ccc(NC(=O)c4cncc(Br)c4)cc3)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.57
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MMP1 P03956 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALOX15 P16050 1/20 0.54
BLM P54132 1/20 0.54
GNG2 P59768 1/20 0.54
GNB1 P62873 1/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ROCK2 O75116 1/20 0.53
GAA P10253 1/20 0.53
ALOX12 P18054 1/20 0.53
ROCK1 Q13464 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL3237959 0.92 SMN1; SMN2 (0.53) MMP9HTTSMN1; SMN2MMP1NPC1
SCHEMBL5354568 0.88 MMP9 (0.68) MMP9MMP1MEN1KMT2AALOX15
SCHEMBL5558427 0.87 MMP9 (0.49) MMP9HTTSMN1; SMN2MMP1NPC1
SCHEMBL3237103 0.84 MMP9 (0.64) MMP9MMP1MEN1KMT2AALOX15
SCHEMBL3240209 0.84 MMP9 (0.60) MMP9MMP1MEN1KMT2AALOX15
SCHEMBL6436345 0.82 SMN1; SMN2 (0.57) HTTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3245122 0.81 MMP9 (0.58) MMP9MMP1MEN1KMT2AALOX15
SCHEMBL3244101 0.81 MMP9 (0.57) MMP9MMP1MEN1KMT2AALOX15
SCHEMBL3236207 0.80 OPRL1 (0.60) MMP9MMP1MEN1KMT2AALOX15
SCHEMBL3238075 0.80 MMP9 (0.56) MMP9SMN1; SMN2MMP1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1369420-A1 Inhibitors of the GPib - vWF interaction Aventis Pharma Deutschland GmbH (DE) 2003-12-10 EP 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 872/4885HTT 2244/4885SMN1; SMN2 4354/4885
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 MMP9 946/4885HTT 2225/4885SMN1; SMN2 4358/4885

“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.