SCHEMBL6506583

SCHEMBL6506583

C[Si](C)(C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
ALDH1A1 P00352 7/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
KMT2A Q03164 5/20 0.62
HTT P42858 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
TP53 P04637 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
POLB P06746 2/20 0.61
MEN1 O00255 2/20 0.60
LMNA P02545 1/20 0.60
AKR1C3 P42330 1/20 0.59

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
SCHEMBL13181103 0.85 MAPT (0.70) MAPTALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL1387486 0.82 MAPT (0.74) MAPTALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL6508169 0.81 GFER (0.59) MAPTALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL8932385 0.80 MAPT (0.69) MAPTALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL3455917 0.80 MAPT (1.00) MAPTALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL13153237 0.79 MAPT (0.68) MAPTALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL6602614 0.79 MAPT (0.67) MAPTALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL12432008 0.78 MAPT (0.64) MAPTALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL2074819 0.78 MAPT (0.68) MAPTALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL29057437 0.78 MAPT (0.68) MAPTALDH1A1SMN1; SMN2KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed
US-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-02-10 US disclosed
EP-1309594-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2004-12-15 EP disclosed
US-6794382-B2 6-OXO-5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLINE DERIVATIVES AS INHIBITORS OF ADP-RIBOSYLTRANSFERASE; CARDIOVASCULAR, IMMUNOLOGICAL, RESPIRATORY SYSTEM, AND NEURODEGENERATIVE DISORDER TREATMENT SANOFI-SYNTHELABO (FR) 2004-09-21 US disclosed
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-10-30 US disclosed
CN-1446218-A Benzimidazole derivatives, their preparation and their therapeutic use SANOFI SYNTHELABO (FR) 2003-10-01 CN disclosed
EP-1309594-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2003-05-14 EP disclosed
WO-2002012239-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-02-14 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 (2 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-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CYP3A7, HDAC7 MAPT 4389/4885ALDH1A1 4006/4885SMN1; SMN2 3970/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 MAPT 4259/4885ALDH1A1 3413/4885SMN1; SMN2 3713/4885

“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.