SCHEMBL3369741

SCHEMBL3369741

CC(C)(C)OC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 6/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NAMPT P43490 1/20 0.47
PRKDC P78527 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL993933 0.86 GAA (0.64) MAPTGAANPSR1NAMPTSMN1; SMN2
SCHEMBL8346062 0.83 PRKDC (0.63) ALDH1A1MAPTKDM4EGAAPRKDC
SCHEMBL6503210 0.82 MAPT (0.50) ALDH1A1MAPTKDM4EGAANPSR1
SCHEMBL30817405 0.82 MAPT (0.50) ALDH1A1MAPTKDM4EGAANPSR1
SCHEMBL10233022 0.81 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EGAANPSR1
SCHEMBL8739188 0.80 MAPT (0.58) ALDH1A1MAPTKDM4EGAANPSR1
SCHEMBL14829005 0.80 MAPT (0.71) ALDH1A1MAPTKDM4EGAANPSR1
SCHEMBL3573442 0.79 GPR119 (0.50) MAPTGAANPSR1NAMPTPRKDC
SCHEMBL12551039 0.79 ALDH1A1 (0.71) ALDH1A1MAPTKDM4ENPSR1SMN1; SMN2
SCHEMBL29986622 0.79 PRKDC (0.49) ALDH1A1MAPTKDM4EGAANPSR1

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 ALDH1A1 1259/4885MAPT 4847/4885KDM4E 1256/4885

“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.