SCHEMBL3245686

SCHEMBL3245686

Cc1cc(N)c2cc(C(=O)NC3CCC(NC(=O)c4ccc5nc(N)sc5c4)CC3)ccc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LCK P06239 3/20 0.51
CYP2D6 P10635 3/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 2/20 0.50
SMYD3 Q9H7B4 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.47
CYP1A2 P05177 1/20 0.46
MAPK14 Q16539 1/20 0.45

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
SCHEMBL5553413 0.90 LMNA (0.58) LMNAALDH1A1NPC1RAB9ALCK
SCHEMBL3243486 0.85 SMYD3 (0.68) SMYD3MEN1KMT2AMAPK14
SCHEMBL3241675 0.81 SMYD3 (0.52) RAB9ASMYD3MEN1KMT2AMAPK14
SCHEMBL3238605 0.80 SMYD3 (0.50) RAB9ASMYD3MEN1KMT2AMAPK14
SCHEMBL14959520 0.73 LMNA (0.63) LMNAALDH1A1NPC1RAB9ALCK
SCHEMBL3238508 0.73 GNG2 (0.61) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1033009 0.73 LMNA (0.64) LMNAALDH1A1NPC1RAB9ALCK
SCHEMBL5553485 0.72 HPGDS (0.43) ALDH1A1SMYD3HSD17B10MAPK14
Hydrochloric Acid SCHEMBL31428470 0.72 GNG2 (0.60) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL211024 0.72 RAB9A (0.66) LMNAALDH1A1NPC1RAB9ALCK

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
US-7235558-B2 Inhibitors of the GPIb—vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 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 LMNA 164/4885ALDH1A1 1185/4885NPC1 1141/4885
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 LMNA 208/4885ALDH1A1 915/4885NPC1 927/4885

“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.