SCHEMBL13648592

SCHEMBL13648592

CCOC(=O)c1[nH]c(N2C[C@H](C)NC2=O)nc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HPGD P15428 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HTT P42858 2/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 5/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
BRD4 O60885 1/20 0.34
CMA1 P23946 1/20 0.34

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
SCHEMBL13648595 1.00 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL13648597 0.76 CYP1A2 (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL13648600 0.76 CYP1A2 (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL1911621 0.74 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHTTHSD17B10
SCHEMBL1911620 0.74 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHTTHSD17B10
SCHEMBL27333862 0.74 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL2132706 0.72 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL27333878 0.70 MAPT (0.38) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL31138767 0.69 HPGD (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL4734326 0.69 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EHTTRECQL

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-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 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 (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-20090264444-A1 Organic compounds SCD, SCD5, FADS2 ALDH1A1 451/4885HPGD 344/4885KDM4E 683/4885

“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.