SCHEMBL4965690

SCHEMBL4965690

CN(c1ccc(NCC2CCCCC2)c(N)c1)S(=O)(=O)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HPGD P15428 4/20 0.42
LMNA P02545 1/20 0.42
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 8/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGER4 P35408 1/20 0.37
THRB P10828 1/20 0.36
ALDH3A1 P30838 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35

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
SCHEMBL4969872 0.85 ALDH1A1 (0.49) CNR1CNR2HPGDLMNANR1H3
SCHEMBL4969058 0.83 HTT (0.46) CNR2HPGDNR1H3ALDH1A1HTT
SCHEMBL4966780 0.82 HTT (0.45) CNR2HPGDNR1H3ALDH1A1HTT
SCHEMBL4966086 0.80 CYP2C9 (0.43) CNR2HPGDLMNANR1H3ALDH1A1
SCHEMBL4968818 0.78 ALDH1A1 (0.49) HPGDLMNAALDH1A1HTTMAPT
SCHEMBL4967682 0.73 HTT (0.41) CNR2HPGDLMNANR1H3ALDH1A1
SCHEMBL4967688 0.73 RORC (0.45) CNR2HPGDLMNANR1H3ALDH1A1
SCHEMBL4230564 0.73 PTGER4 (0.48) HPGDALDH1A1HTTMAPTPTGER4
SCHEMBL4968421 0.72 NR1H3 (0.41) HPGDLMNANR1H3ALDH1A1HTT
SCHEMBL4967122 0.69 PTGER4 (0.49) CNR2HPGDALDH1A1HTTMAPT

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 CNR1 182/4885CNR2 202/4885HPGD 1287/4885
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof TBXA2R, CYP2C19, CYP3A43 CNR1 304/4885CNR2 292/4885HPGD 1268/4885

“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.