SCHEMBL3368040

SCHEMBL3368040

COC(=O)c1ccc2[nH]c(C(=O)NC3CCN(C(C)C)CC3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.55
▸ HRH3 Q9Y5N1 6/20 0.51
▸ TLR9 Q9NR96 8/20 0.50
▸ TLR8 Q9NR97 8/20 0.50
▸ TLR7 Q9NYK1 8/20 0.50
▸ VCP P55072 2/20 0.50

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
SCHEMBL3369459 0.87 PARP1 (0.48) PARP1HRH3
SCHEMBL1382081 0.82 PARP1 (0.67) PARP1HRH3
SCHEMBL3231932 0.82 VCP (0.58) HRH3TLR9TLR8TLR7VCP
SCHEMBL4873456 0.80 HRH3 (0.46) PARP1HRH3TLR9TLR8TLR7
SCHEMBL4413051 0.78 DYRK1A (0.64) HRH3TLR9TLR8TLR7
SCHEMBL3369864 0.78 PARP1 (0.80) PARP1
SCHEMBL3369791 0.77 PARP1 (0.61) PARP1HRH3TLR9TLR8TLR7
SCHEMBL6016999 0.75 PARP1 (0.50) PARP1HRH3
SCHEMBL3962662 0.74 HRH3 (0.51) HRH3TLR9TLR8TLR7VCP
SCHEMBL31154217 0.73 HRH4 (0.52) PARP1

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 6 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
EP-1479676-A1 Benzimidazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 — — 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 (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 PARP1 371/4885HRH3 310/4885TLR9 2553/4885

“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.

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