SCHEMBL13516183

SCHEMBL13516183

COC(=O)c1ccc(NC(C)=O)c(N)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 7/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CFTR P13569 1/20 0.41
PTGER4 P35408 1/20 0.41
ABL1 P00519 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL7478633 0.83 SMN1; SMN2 (0.50) KDM4EPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL22999808 0.83 PTGER4 (0.58) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL29424811 0.78 KDM4E (0.53) KDM4EPOLBALDH1A1GAAMAPT
SCHEMBL5553956 0.78 KDM4E (0.53) KDM4EPOLBALDH1A1GAAMAPT
SCHEMBL13255390 0.78 LMNA (0.51) KDM4EPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL13561978 0.77 KDM4E (0.51) KDM4EPOLBALDH1A1GAAMAPT
SCHEMBL6852879 0.75 CA1 (0.52) KDM4EPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL5151899 0.74 GAA (0.60) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL31196721 0.74 GAA (0.56) KDM4EPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL5627215 0.74 GAA (0.56) KDM4EPOLBSMN1; SMN2ALDH1A1GAA

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
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 KDM4E 3115/4885POLB 1468/4885SMN1; SMN2 3582/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 KDM4E 3115/4885POLB 1468/4885SMN1; SMN2 3582/4885

“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.