SCHEMBL4966705

SCHEMBL4966705

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.50
VCAM1 P19320 1/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL4966069 0.81 VCAM1 (0.51) NR1H3VCAM1KMT2ALMNAMEN1
SCHEMBL4969872 0.74 ALDH1A1 (0.49) NR1H3KMT2ALMNAMEN1HTT
SCHEMBL4969877 0.73 MEN1 (0.56) KMT2ALMNAMEN1HTTALDH1A1
SCHEMBL5722148 0.73 LMNA (0.50) VCAM1KMT2ALMNAMEN1HTT
SCHEMBL3878871 0.73 MAPT (0.61) VCAM1KMT2ALMNAMEN1HTT
SCHEMBL29559175 0.73 MAPT (0.61) VCAM1KMT2ALMNAMEN1HTT
SCHEMBL4760306 0.72 NR1H3 (0.61) NR1H3KMT2ALMNAMEN1HTT
SCHEMBL6364323 0.71 MAPT (0.50) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL26548006 0.69 ALDH1A1 (0.67) VCAM1KMT2ALMNAMEN1HTT
SCHEMBL10520630 0.69 VCAM1 (0.53) VCAM1KMT2ALMNAMEN1HTT

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 10 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
WO-2005030761-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 NR1H3 2608/4885VCAM1 4688/4885KMT2A 1921/4885
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof TBXA2R, CYP2C19, CYP3A43 NR1H3 2662/4885VCAM1 4745/4885KMT2A 1923/4885

“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.