SCHEMBL5818364

SCHEMBL5818364

CCOC(=O)c1ncc(N)c(CC)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TLR9 Q9NR96 1/20 0.44
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRA6 Q16445 1/20 0.42
UBE2N P61088 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM5B Q9UGL1 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
SCHEMBL29040001 0.76 UBE2N (0.60) ALDH1A1MAPTNPSR1HSD17B10NPC1
SCHEMBL8692342 0.76 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1HSD17B10NPC1
SCHEMBL29439663 0.76 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1HSD17B10NPC1
SCHEMBL2521639 0.76 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1HSD17B10NPC1
SCHEMBL14907404 0.74 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1HSD17B10NPC1
SCHEMBL13472446 0.74 MAPT (0.43) ALDH1A1MAPTNPSR1HSD17B10NPC1
SCHEMBL29338921 0.74 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10NPC1TP53
SCHEMBL24131085 0.72 CYP1A2 (0.46) ALDH1A1MAPTNPSR1HSD17B10NPC1
SCHEMBL13622778 0.72 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1HSD17B10NPC1
SCHEMBL7669745 0.72 MAPT (0.48) ALDH1A1MAPTNPSR1HSD17B10NPC1

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
WO-2006112828-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2006-10-26 WO disclosed
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 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-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 ALDH1A1 1498/4885MAPT 1615/4885NPSR1 2229/4885

“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.