SCHEMBL3369725

SCHEMBL3369725

CCOCCOc1cccc2[nH]c(C(=O)O)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.48
CBFB Q13951 1/20 0.45
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 1/20 0.40
PTK2B Q14289 1/20 0.40
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 3/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
ALB P02768 1/20 0.37
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3368709 0.87 MAOB (0.45) CBFBDRD2DRD4DRD3ALDH1A1
SCHEMBL3368794 0.81 DRD2 (0.39) CBFBDRD2DRD4DRD3ALDH1A1
SCHEMBL30402898 0.78 MAOB (0.58) CBFBALDH1A1KMT2AMAOBADORA2A
SCHEMBL3368854 0.77 NCF1 (0.50) NCF1CBFBDRD2DRD4DRD3
SCHEMBL3372519 0.75 DRD2 (0.37) CBFBDRD2DRD4DRD3MAOB
SCHEMBL11037627 0.73 NCF1 (0.62) NCF1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL10394604 0.73 CBFB (0.49) CBFBALDH1A1KMT2AMAOBADORA2A
SCHEMBL6016858 0.72 PARP1 (0.49)
SCHEMBL1144691 0.70 HRH4 (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL11047665 0.70 KDM4E (0.45) KDM4EMAPTHPGD

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 NCF1 2041/4885CBFB 876/4885DRD2 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.