SCHEMBL4968283

SCHEMBL4968283

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
GAA P10253 2/20 1.00
PKM P14618 2/20 0.65
POLB P06746 1/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
KDM4E B2RXH2 1/20 0.64
CYP3A4 P08684 1/20 0.64
HPGD P15428 1/20 0.64
MAPT P10636 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 2/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.53

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
SCHEMBL584346 0.85 ALDH1A1 (0.73) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL4901044 0.84 ALDH1A1 (0.73) ALDH1A1GAAPKMPOLBMEN1
SCHEMBL1891805 0.84 ALDH1A1 (0.72) ALDH1A1GAAPKMPOLBMEN1
SCHEMBL4968417 0.83 FFAR4 (0.71) ALDH1A1GAAPKMPOLBMEN1
SCHEMBL10182996 0.82 ALDH1A1 (0.69) ALDH1A1GAAPKMPOLBMEN1
SCHEMBL4968445 0.79 PKM (0.67) ALDH1A1GAAPKMPOLBMEN1
Sulfanitran SCHEMBL93837 0.79 KMT2A (1.00) ALDH1A1GAAMEN1KMT2ATDP1
SCHEMBL27180172 0.78 ALDH1A1 (0.64) ALDH1A1GAAMEN1KMT2ATDP1
SCHEMBL4967760 0.78 PKM (0.65) ALDH1A1GAAPKMPOLBMEN1
SCHEMBL461513 0.77 ALDH1A1 (0.61) ALDH1A1GAAMEN1KMT2AMAPT

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 ALDH1A1 642/4885GAA 1479/4885PKM 243/4885
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 ALDH1A1 165/4885GAA 1933/4885PKM 230/4885

“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.