SCHEMBL584294

SCHEMBL584294

CCS(=O)(=O)Nc1ccc(NCC2CCC(F)(F)CC2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
CNR1 P21554 3/20 0.48
PTGER4 P35408 1/20 0.43
BRD4 O60885 5/20 0.40
ALDH1A1 P00352 1/20 0.37
ALDH3A1 P30838 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 2/20 0.36
LY6K Q17RY6 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MET P08581 1/20 0.34
KIF18A Q8NI77 1/20 0.33

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
SCHEMBL585317 0.83 CNR1 (0.45) CNR2CNR1BRD4ALDH1A1ALDH3A1
SCHEMBL584385 0.81 CNR2 (0.48) CNR2CNR1BRD4ALDH1A1ALDH3A1
SCHEMBL584850 0.81 PTGER4 (0.46) PTGER4ALDH1A1
SCHEMBL13804940 0.79 CNR1 (0.42) CNR2CNR1PTGER4BRD4ALDH1A1
SCHEMBL3923613 0.79 PTGER4 (0.47) PTGER4ALDH1A1MAPTHPGDHTT
SCHEMBL10048485 0.79 PTGER4 (0.47) PTGER4ALDH1A1HPGDSMN1; SMN2
SCHEMBL3765728 0.74 PTGER4 (0.64) CNR2PTGER4ALDH1A1MAPTHPGD
SCHEMBL4968421 0.72 NR1H3 (0.41) PTGER4ALDH1A1LMNAHPGDHTT
SCHEMBL584659 0.72 PTGER4 (0.45) PTGER4ALDH1A1MAPTHPGDHTT
SCHEMBL27695223 0.72 PTGER4 (0.45) PTGER4ALDH1A1MAPTHPGDHTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
CN-101052639-B Benzimidazole derivatives, composition containing thereof, its preparation method and application ASTRAZENECA AB SE 2010-10-27 CN disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
CN-101052639-A Benzimidazole derivatives, composition containing thereof, its preparation method and application ASTRAZENECA AB (SE) 2007-10-10 CN disclosed
US-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2006-11-23 US 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-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R CNR2 83/4885CNR1 54/4885PTGER4 102/4885
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R CNR2 83/4885CNR1 54/4885PTGER4 102/4885

“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.