SCHEMBL4968445

SCHEMBL4968445

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.67
POLB P06746 2/20 0.67
ALDH1A1 P00352 6/20 0.67
GAA P10253 1/20 0.65
MAPT P10636 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP3A4 P08684 1/20 0.57
HPGD P15428 1/20 0.57
ALDH3A1 P30838 1/20 0.55
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4967760 0.94 PKM (0.65) PKMPOLBALDH1A1GAAMAPT
SCHEMBL10802959 0.87 HTT (0.68) PKMPOLBALDH1A1MAPTTDP1
SCHEMBL4971201 0.84 PKM (0.52) PKMPOLBALDH1A1GAAMAPT
SCHEMBL4970637 0.83 PKM (0.56) PKMPOLBALDH1A1GAAMAPT
SCHEMBL4970011 0.82 PKM (0.56) PKMPOLBALDH1A1GAAMAPT
SCHEMBL4968283 0.79 ALDH1A1 (1.00) PKMPOLBALDH1A1GAAMAPT
SCHEMBL5968101 0.78 PKM (0.50) PKMPOLBALDH1A1GAAMAPT
SCHEMBL127370 0.77 ALDH1A1 (0.68) PKMPOLBALDH1A1MAPTTDP1
SCHEMBL29392416 0.77 ALDH1A1 (0.68) PKMPOLBALDH1A1MAPTTDP1
SCHEMBL10805022 0.76 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 12 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
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-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
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
EP-1670770-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2005030733-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 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-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.