SCHEMBL3236152

SCHEMBL3236152

Nc1ccc(CNn2cnc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TNF P01375 1/20 0.41
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
LCK P06239 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4359327 0.87 ASAH1 (0.54) ASAH1TDP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL4952864 0.75 ASAH1 (0.39) ASAH1TDP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL7413126 0.74 MAPT (0.57) TDP1SMN1; SMN2LMNAHSD17B10L3MBTL1
SCHEMBL2022520 0.73 CYP11B1 (0.75) TDP1CYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL1800353 0.71 TDP1 (0.48) TDP1CYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL4953476 0.71 FGFR1 (0.40) ASAH1TDP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL4953499 0.71 FGFR1 (0.40) ASAH1TDP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL15022038 0.70 TDP1 (0.52) TDP1CYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL1062170 0.70 TDP1 (0.44) TDP1CYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL7377916 0.69 SMN1; SMN2 (0.51) SMN1; SMN2ALOX15HSD17B10NPC1GAA

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 ASAH1 2861/4885TDP1 3675/4885CYP11B1 2653/4885
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 ASAH1 2906/4885TDP1 3209/4885CYP11B1 2302/4885

“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.