SCHEMBL2294069

SCHEMBL2294069

N#Cc1cccc(C(ON2C(=O)c3ccccc3C2=O)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.56
MGLL Q99685 5/20 0.41
GRM5 P41594 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
GRM4 Q14833 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA1D P25100 4/20 0.37
ADRA1A P35348 2/20 0.37
ADRA2B P18089 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
ADRA1B P35368 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
SCHEMBL2292893 0.84 TNF (0.50) TNFMGLLGRM5OPRM1OPRK1
SCHEMBL2294348 0.81 TNF (0.47) TNFMGLLPDCD1CD274KMT2A
SCHEMBL6689096 0.78 TNF (0.80) TNF
SCHEMBL10695287 0.76 TNF (0.39) TNFMEN1KMT2A
SCHEMBL5099707 0.76 GRM4 (0.45) TNFMGLLGRM4ADRA1DADRA1A
SCHEMBL10683382 0.75 KMT2A (0.44) TNFGRM4SLC6A2SLC6A4MEN1
SCHEMBL10684402 0.75 KMT2A (0.44) TNFGRM4SLC6A2SLC6A4MEN1
SCHEMBL10695288 0.73 TNF (0.39) TNFKMT2A
SCHEMBL5089141 0.73 FFAR1 (0.48) TNFGRM4MEN1KMT2A
Hydrochloric Acid SCHEMBL5098915 0.72 FFAR1 (0.47) TNFGRM4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
EP-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 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 (1 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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S TNF 3052/4885MGLL 2636/4885GRM5 701/4885

“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.