SCHEMBL3236154

SCHEMBL3236154

Nc1ccc(CNc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
TP53 P04637 3/20 0.77
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HDAC1 Q13547 1/20 0.61
LMNA P02545 2/20 0.59
NPC1 O15118 2/20 0.59
GAA P10253 3/20 0.55
GFER P55789 3/20 0.55
HTT P42858 1/20 0.55
HIF1A Q16665 1/20 0.55
BCHE P06276 1/20 0.52
TRPC3 Q13507 1/20 0.52
TRPC4 Q9UBN4 1/20 0.52
TRPC5 Q9UL62 1/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL31329340 0.87 RAB9A (1.00) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL3593419 0.87 RAB9A (1.00) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL27915820 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329353 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329346 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL15416993 0.85 RAB9A (0.82) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL31329347 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL27915818 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL27915817 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL2028202 0.84 RAB9A (0.71) RAB9ASMN1; SMN2TP53MEN1KMT2A

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 RAB9A 481/4885SMN1; SMN2 4354/4885TP53 3596/4885
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 RAB9A 647/4885SMN1; SMN2 4358/4885TP53 3242/4885

“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.