SCHEMBL3369737

SCHEMBL3369737

CC(C)(C)[Si](C)(C)OCCOc1cccc(N)c1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCHR1 Q99705 3/20 0.37
DUT P33316 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NCF1 P14598 11/20 0.34
CYBB P04839 1/20 0.33
NOX5 Q96PH1 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6017107 1.00 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19MCHR1DUT
SCHEMBL3056560 0.88 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19MCHR1DUT
SCHEMBL4894524 0.80 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19MCHR1DUT
SCHEMBL23272697 0.77 DUT (0.33) DUTCA12CA1CA2CA9
SCHEMBL29823165 0.77 DUT (0.33) DUTCA12CA1CA2CA9
SCHEMBL2843558 0.77 CD44 (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1CA12
SCHEMBL23908366 0.77 DUT (0.33) DUT
SCHEMBL23273052 0.77 CA12 (0.38) DUTCA12CA1CA2CA9
SCHEMBL22655811 0.77 HTR2C (0.35) CYP1A2CYP2C9CYP2C19MCHR1DUT
SCHEMBL29823285 0.77 CA12 (0.38) DUTCA12CA1CA2CA9

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 CYP1A2 151/4885CYP2C9 102/4885CYP2C19 79/4885

“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.