SCHEMBL4970637

SCHEMBL4970637

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NCCO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 7/20 0.56
GAA P10253 1/20 0.55
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALDH3A1 P30838 1/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
BCL2 P10415 1/20 0.43

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
SCHEMBL4970011 0.96 PKM (0.56) PKMPOLBALDH1A1GAAMAPT
SCHEMBL5722710 0.93 MAPT (0.59) PKMPOLBALDH1A1GAAMAPT
SCHEMBL4967663 0.86 KDM4E (0.46) PKMGAAMAPTMEN1KMT2A
SCHEMBL4968521 0.85 KDM4E (0.54) PKMALDH1A1GAAMAPTMEN1
SCHEMBL4968445 0.83 PKM (0.67) PKMPOLBALDH1A1GAAMAPT
SCHEMBL4971230 0.82 LMNA (0.46) PKMGAAMAPTMEN1KMT2A
SCHEMBL4967760 0.81 PKM (0.65) PKMPOLBALDH1A1GAAMAPT
SCHEMBL4966298 0.80 KDM4E (0.53) PKMALDH1A1GAAMAPTMEN1
SCHEMBL1954215 0.78 MAPT (0.61) PKMPOLBGAAMAPTTDP1
SCHEMBL10805022 0.75 HTT (0.60) PKMPOLBALDH1A1GAAMAPT

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-1670770-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 US disclosed
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US 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-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof F12, H1-3, H1-4 PKM 243/4885POLB 1792/4885ALDH1A1 642/4885
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 PKM 230/4885POLB 2624/4885ALDH1A1 165/4885

“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.