SCHEMBL3368709

SCHEMBL3368709

COCCOc1cccc2[nH]c(C(=O)O)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
CNR2 P34972 3/20 0.40
HPSE Q9Y251 1/20 0.39
CBFB Q13951 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MCL1 Q07820 2/20 0.39
ALB P02768 1/20 0.39
BCL2 P10415 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL3369725 0.87 NCF1 (0.48) MAOBADORA2ADRD2DRD4DRD3
SCHEMBL30402898 0.83 MAOB (0.58) MAOBADORA2AHPSECBFBALDH1A1
SCHEMBL3368794 0.83 DRD2 (0.39) MAOBADORA2ADRD2DRD4DRD3
SCHEMBL6016858 0.83 PARP1 (0.49) PARP1
SCHEMBL213419 0.78 DRD2 (0.44) DRD2DRD4DRD3CBFBALDH1A1
SCHEMBL3372519 0.77 DRD2 (0.37) MAOBADORA2ADRD2DRD4DRD3
SCHEMBL3370975 0.76 DRD2 (0.48) MAOBADORA2ADRD2DRD4DRD3
SCHEMBL10394604 0.73 CBFB (0.49) MAOBADORA2ACNR2HPSECBFB
SCHEMBL7484394 0.72 PKN1 (0.60) HPGDALOX15KDM4EDHODHPARP1
SCHEMBL11047665 0.72 KDM4E (0.45) CNR2HPGDKDM4EDHODHPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP disclosed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO 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 (1 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-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 MAOB 37/4885ADORA2A 1583/4885DRD2 3083/4885

“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.