SCHEMBL16176294

SCHEMBL16176294

O=C(O)NCCc1nc2cc(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 4/20 0.68
PRKAA2 P54646 4/20 0.68
PRKAB1 Q9Y478 4/20 0.68
PRKAA1 Q13131 1/20 0.68
CACNA1G O43497 2/20 0.58
GAA P10253 2/20 0.53
HTT P42858 2/20 0.53
EGLN1 Q9GZT9 1/20 0.52
CACNA1H O95180 1/20 0.50
F9 P00740 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
LMNA P02545 1/20 0.48
GRIK1 P39086 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIN1 Q05586 1/20 0.48

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
SCHEMBL23522710 0.85 CACNA1G (0.72) PRKAG1PRKAA2PRKAB1PRKAA1CACNA1G
SCHEMBL17513340 0.83 HTT (0.51) PRKAG1PRKAA2PRKAB1PRKAA1GAA
SCHEMBL10030830 0.81 PRKAG1 (0.54) PRKAG1PRKAA2PRKAB1PRKAA1CACNA1G
SCHEMBL16176491 0.78 HTT (0.51) GAAHTTF9SMN1; SMN2LMNA
SCHEMBL2551145 0.78 HTT (0.51) GAAHTTF9SMN1; SMN2LMNA
SCHEMBL13406081 0.77 TP53 (0.66) F9SMN1; SMN2LMNATP53
SCHEMBL13406082 0.77 CTSS (0.62) SMN1; SMN2LMNATP53
SCHEMBL31716315 0.77 PRKAG1 (0.72) PRKAG1PRKAA2PRKAB1PRKAA1CACNA1G
SCHEMBL10454789 0.77 HTT (0.76) GAAHTTSMN1; SMN2LMNATSHR
SCHEMBL11301498 0.76 SMN1; SMN2 (0.53) GAAHTTF9SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2987793-B1 HETEROCYCLIC ACETIC ACID AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-9708307-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2017-07-18 US disclosed
EP-2987793-A1 HETEROCYCLIC ACETIC ACID AMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-02-24 EP disclosed
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-02-12 US disclosed
US-8937087-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2015-01-20 US disclosed
US-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-23 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-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD1, DRD2, OPRD1 PRKAG1 318/4885PRKAA2 415/4885PRKAB1 511/4885
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD2, DRD1, OPRD1 PRKAG1 269/4885PRKAA2 394/4885PRKAB1 428/4885

“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.