SCHEMBL21614712

SCHEMBL21614712

CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AAK1 Q2M2I8 2/20 0.35
AR P10275 3/20 0.35
PRCP P42785 3/20 0.34
PDK1 Q15118 1/20 0.33
F10 P00742 1/20 0.33
RHEB Q15382 1/20 0.33
PDE10A Q9Y233 1/20 0.33
DGAT2 Q96PD7 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
SCHEMBL30763499 1.00 CACNA1G (0.40) CACNA1GCACNA1BCACNA1CPRKAG1PRKAA2
SCHEMBL21611974 0.88 PRKAG1 (0.46) CACNA1GPRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL16186541 0.76 CACNA1G (0.55) CACNA1GCACNA1BCACNA1CPRKAG1PRKAA2
SCHEMBL21614699 0.72 HDAC1 (0.49) HDAC1HDAC8HDAC6
SCHEMBL21611932 0.72 F2 (0.37) HDAC1HDAC8HDAC6
SCHEMBL30763497 0.71 HDAC1 (0.49) HDAC1HDAC8HDAC6AAK1
SCHEMBL30763505 0.71 HDAC1 (0.41) CACNA1GCACNA1BCACNA1CHDAC1HDAC8
SCHEMBL21614711 0.71 RAB9A (0.45) CACNA1GPRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL30017260 0.71 SOS1 (0.42) AR
SCHEMBL16188991 0.70 CACNA1G (0.54) CACNA1GCACNA1BCACNA1CPRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 US disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 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-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 CACNA1G 2869/4885CACNA1B 2010/4885CACNA1C 2151/4885

“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.