SCHEMBL1381476

SCHEMBL1381476

COc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)nc3cccc(C(=O)O)c32)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.62
DRD4 P21917 2/20 0.51
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
MAPT P10636 1/20 0.45
FABP4 P15090 1/20 0.45
MCHR1 Q99705 2/20 0.44
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
BRD4 O60885 1/20 0.42
CCR3 P51677 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3799822 0.94 F10 (0.62) F10DRD4PDE4BPDE4DSIGMAR1
SCHEMBL1379384 0.87 F10 (0.66) F10DRD4SIGMAR1MAPTMCHR1
SCHEMBL3794052 0.82 F10 (0.66) F10DRD4SIGMAR1MAPTMCHR1
SCHEMBL1381696 0.82 F10 (0.63) F10DRD4PDE4BPDE4DSIGMAR1
SCHEMBL1383134 0.82 F10 (0.63) F10DRD4PDE4BPDE4DSIGMAR1
SCHEMBL5619430 0.80 F10 (0.76) F10DRD4SIGMAR1FABP4MCHR1
SCHEMBL1377815 0.79 F10 (0.55) F10
SCHEMBL1381671 0.79 F10 (0.59) F10DRD4
SCHEMBL1381065 0.79 F10 (0.61) F10DRD4SIGMAR1MCHR1JAK1
SCHEMBL1380384 0.76 F10 (0.79) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4658940-B2 2011-03-23 JP claimed
JP-2006528213-A 2006-12-14 JP claimed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP claimed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US claimed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
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 F10 11/4885DRD4 3857/4885PDE4B 1537/4885

“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.