SCHEMBL4969877

SCHEMBL4969877

O=[N+]([O-])c1cc(NS(=O)(=O)c2cccs2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 3/20 0.51
PKM P14618 3/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RORA P35398 1/20 0.47
RORC P51449 1/20 0.47
RORB Q92753 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL5722148 0.79 LMNA (0.50) MEN1KMT2AHTTLMNAHPGD
SCHEMBL4968417 0.79 FFAR4 (0.71) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL1891805 0.77 ALDH1A1 (0.72) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL29031229 0.75 MEN1 (0.77) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL461513 0.75 ALDH1A1 (0.61) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL27183377 0.75 ALDH1A1 (0.58) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL4901044 0.75 ALDH1A1 (0.73) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL10182996 0.75 ALDH1A1 (0.69) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL5429681 0.74 SMN1; SMN2 (0.67) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL7569646 0.74 MEN1 (0.71) MEN1KMT2AHTTLMNAALDH1A1

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
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
EP-1670790-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
EP-1670790-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP 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-1670790-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF 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-2005030762-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 MEN1 3142/4885KMT2A 1921/4885HTT 3623/4885
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof TBXA2R, CYP2C19, CYP3A43 MEN1 3556/4885KMT2A 1923/4885HTT 3803/4885

“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.