SCHEMBL3238508

SCHEMBL3238508

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 2/20 0.61
GNB1 P62873 2/20 0.61
MMP9 P14780 2/20 0.61
MEN1 O00255 1/20 0.61
MMP1 P03956 1/20 0.61
ALOX15 P16050 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
NCF1 P14598 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TERT O14746 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
Hydrochloric Acid SCHEMBL31428470 0.98 GNG2 (0.60) GNG2GNB1MMP9MEN1MMP1
SCHEMBL30050282 0.83 TDP1 (0.56) MEN1KMT2ATDP1ALDH1A1
SCHEMBL20271625 0.83 TDP1 (0.56) MEN1KMT2ATDP1ALDH1A1
SCHEMBL31428582 0.82 ALDH1A1 (0.56) GNG2GNB1MMP9MEN1MMP1
SCHEMBL5354568 0.82 MMP9 (0.68) GNG2GNB1MMP9MEN1MMP1
SCHEMBL8587371 0.81 TDP1 (0.54) MEN1KMT2ATDP1ALDH1A1HSD17B10
SCHEMBL31428615 0.81 ALDH1A1 (0.52) MEN1KMT2ATDP1ALDH1A1HSD17B10
SCHEMBL23858583 0.80 TDP1 (0.53) MEN1KMT2ATDP1ALDH1A1HSD17B10
SCHEMBL30251661 0.80 LMNA (0.62) MEN1KMT2ATDP1ALDH1A1HSD17B10
SCHEMBL30251698 0.80 TDP1 (0.53) MEN1KMT2ATDP1ALDH1A1HSD17B10

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 GNG2 1310/4885GNB1 252/4885MMP9 872/4885
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 GNG2 1285/4885GNB1 263/4885MMP9 946/4885

“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.