SCHEMBL4969872

SCHEMBL4969872

CN(c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 4/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
NR1H3 Q13133 1/20 0.38
ALDH3A1 P30838 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4965690 0.85 CNR1 (0.44) ALDH1A1MAPTHTTSMN1; SMN2CNR1
SCHEMBL4966415 0.84 MAPT (0.52) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL4967915 0.82 MAPT (0.50) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL4969259 0.81 ALDH1A1 (0.53) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL4967677 0.77 MAPT (0.48) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL4966405 0.76 MAPT (0.44) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL3972651 0.76 MAPT (0.51) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL3972652 0.76 MAPT (0.51) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL4966167 0.75 MAPT (0.44) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL4966705 0.74 NR1H3 (0.50) ALDH1A1MAPTHTTSMN1; SMN2KMT2A

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 ALDH1A1 165/4885MAPT 3892/4885HTT 3623/4885
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof TBXA2R, CYP2C19, CYP3A43 ALDH1A1 93/4885MAPT 3764/4885HTT 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.